SCHEMBL173425

SCHEMBL173425

NC(=NO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CES1 P23141 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
PLAU P00749 1/20 0.53
MAPK1 P28482 1/20 0.52
NOS1 P29475 2/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL173424 1.00 TSHR (0.62) TSHRLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL14710749 1.00 TSHR (0.62) TSHRLMNAGAAALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL3225171 0.93 TSHR (0.59) TSHRLMNAGAAALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL3225179 0.93 TSHR (0.59) TSHRLMNAGAAALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL3225167 0.91 TSHR (0.58) TSHRLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL15057638 0.84 TSHR (0.62) TSHRLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL11727865 0.80 CYP3A4 (0.62) TSHRLMNASMN1; SMN2CES1PLAU
SCHEMBL16930819 0.79 TSHR (0.56) TSHRLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7353197 0.79 CES1 (0.59) TSHRLMNAGAAALDH1A1CES1
SCHEMBL8620473 0.79 CES1 (0.59) TSHRLMNAGAAALDH1A1CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958814-B1 3-(4-nitrophenyl)-5-((2-isopropyl-5-methylphenoxy)methyl)-1,2,4-oxadiazole as an anti-cancer and antimicrobial compound King Faisal University (SA) 2024-04-16 US claimed
US-11905263-B1 4-nitro-N′-(2-(5-phenyl-1,3,4-oxadiazol-2-ylthio)acetoxy)benzimidamide as an antimicrobial compound King Faisal University (SA) 2024-02-20 US claimed
US-11905264-B1 N′-(2-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-ylthio)acetoxy)-4-nitrobenzimidamide as an antimicrobial compound King Faisal University (SA) 2024-02-20 US claimed
CN-109415321-B Aromatic sulfonamide derivatives 拜耳制药股份公司 2022-06-17 CN claimed
US-10577331-B2 Formation of N-protected 3,6-bis-(4-aminobutyl)-2,5-diketopiperazine through a cyclic alpha-N-protected amino ester intermediate MANNKIND, CORP. (US) 2020-03-03 US claimed
US-9944609-B2 Formation of N-protected bis-3,6-(4-aminobutyl)-2, 5-diketopiperazine through a cyclic alpha-N-protected amino ester MANNKIND CORPORATION (US) 2018-04-17 US claimed
US-20160137614-A1 FORMATION OF N-PROTECTED BIS-3,6- (4-AMINOBUTYL) -2, 5-DIKETOPIPERAZINE THROUGH A CYCLIC ALPHA-N-PROTECTED AMINO ESTER WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2016-05-19 US claimed
EP-4363415-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2025-12-10 EP disclosed
US-20250214946-A1 FORMATION OF N-PROTECTED 3,6-BIS-(4-AMINOBUTYL)-2,5-DIKETOPIPERAZINE THROUGH A CYCLIC ALPHA-N-PROTECTED AMINO ESTER INTERMEDIATE WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2025-07-03 US disclosed
US-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-05-15 US disclosed
CN-119137106-A Arylbenzisoxazole compounds as IP6K and IPMK inhibitors and methods of use thereof 北卡罗来纳查佩尔山大学 2024-12-13 CN disclosed
EP-4472959-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2024-12-11 EP disclosed
US-20240336576-A1 FORMATION OF N-PROTECTED 3,6-BIS-(4-AMINOBUTYL)-2,5-DIKETOPIPERAZINE THROUGH A CYCLIC ALPHA-N-PROTECTED AMINO ESTER INTERMEDIATE WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2024-10-10 US disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 WO disclosed
US-5622976-A NERVOUS SYSTEM DISORDERS; ALZHEIMER*S DISEASE; CEREBROVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0619814-A1 OXADIAZOLE DERIVATIVES HAVING ACETYLCHOLINESTERASE-INHIBITORY AND MUSCARINIC AGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
WO-1993013083-A1 OXADIAZOLE DERIVATIVES HAVING ACETYLCHOLINESTERASE-INHIBITORY AND MUSCARINIC AGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed
EP-0123378-B1 1-NORMONYL DERIVATIVES, PROCESSES AND USE BEECHAM GROUP PLC (GB) 1989-09-06 EP disclosed
EP-0123378-A2 1-Normonyl derivatives, processes and use BEECHAM GROUP PLC (GB) 1984-10-31 EP disclosed
US-4003909-A [(1,2,4-Oxadiazol-3-yl)phenyl]carbamic or thiocarbamic acid esters E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250214946-A1 FORMATION OF N-PROTECTED 3,6-BIS-(4-AMINOBUTYL)-2,5-DIKETOPIPERAZINE THROUGH A CYCLIC ALPHA-N-PROTECTED AMINO ESTER INTERMEDIATE NPEPPS, DNPEP, ANPEP TSHR 4429/4885LMNA 510/4885GAA 3276/4885
US-11905263-B1 4-nitro-N′-(2-(5-phenyl-1,3,4-oxadiazol-2-ylthio)acetoxy)benzimidamide as an antimicrobial compound NIT2, B3GNT2, IL4I1 TSHR 4609/4885LMNA 3481/4885GAA 936/4885
US-11905264-B1 N′-(2-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-ylthio)acetoxy)-4-nitrobenzimidamide as an antimicrobial compound NIT2, B3GNT2, IL4I1 TSHR 4542/4885LMNA 4416/4885GAA 1743/4885
US-10577331-B2 Formation of N-protected 3,6-bis-(4-aminobutyl)-2,5-diketopiperazine through a cyclic alpha-N-protected amino ester intermediate NPEPPS, DNPEP, ANPEP TSHR 4429/4885LMNA 510/4885GAA 3276/4885
US-20240336576-A1 FORMATION OF N-PROTECTED 3,6-BIS-(4-AMINOBUTYL)-2,5-DIKETOPIPERAZINE THROUGH A CYCLIC ALPHA-N-PROTECTED AMINO ESTER INTERMEDIATE NPEPPS, DNPEP, ANPEP TSHR 4429/4885LMNA 510/4885GAA 3276/4885
US-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF PFKL, IP6K2, IP6K1 TSHR 3905/4885LMNA 2476/4885GAA 3265/4885
US-20160137614-A1 FORMATION OF N-PROTECTED BIS-3,6- (4-AMINOBUTYL) -2, 5-DIKETOPIPERAZINE THROUGH A CYCLIC ALPHA-N-PROTECTED AMINO ESTER NPEPPS, DNPEP, ANPEP TSHR 4435/4885LMNA 381/4885GAA 3230/4885
US-11958814-B1 3-(4-nitrophenyl)-5-((2-isopropyl-5-methylphenoxy)methyl)-1,2,4-oxadiazole as an anti-cancer and antimicrobial compound OXA1L, API5, CASP3 TSHR 4691/4885LMNA 4223/4885GAA 3543/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.