SCHEMBL70669

SCHEMBL70669

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.55
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
CES2 O00748 1/20 0.48
SRD5A2 P31213 1/20 0.48
LMNA P02545 2/20 0.47
GSK3B P49841 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8348890 0.82 TSHR (0.55) CES1CA1CA2TDP1TSHR
SCHEMBL28517308 0.82 MAPK1 (0.55) CES1CA1CA2TDP1TSHR
Hydrochloric Acid SCHEMBL16600504 0.81 TSHR (0.53) CES1CA1CA2TDP1TSHR
SCHEMBL17469781 0.78 MAPK1 (0.50) CES1CA1CA2TDP1TSHR
SCHEMBL2227754 0.78 PRSS1 (0.63) CES1TSHRALDH1A1MEN1KMT2A
SCHEMBL11342723 0.78 APP (0.50) CES1CA1CA2TDP1POLB
SCHEMBL11342720 0.78 APP (0.50) CES1CA1CA2TDP1POLB
SCHEMBL296991 0.78 MEN1 (0.68) CES1CA1CA2TDP1TSHR
SCHEMBL12348299 0.78 HSD17B10 (0.36) CA1CA2ALDH1A1LMNA
SCHEMBL7061365 0.77 MAPK1 (0.53) CES1CA1CA2TDP1TSHR

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 79 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-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
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
EP-4734980-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2026-05-06 EP 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
WO-2025006726-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed
EP-4472959-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2024-12-11 EP disclosed
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 disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
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 disclosed
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 disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 US disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 US disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 CES1 219/4885CA1 3353/4885CA2 1083/4885
US-11905263-B1 4-nitro-N′-(2-(5-phenyl-1,3,4-oxadiazol-2-ylthio)acetoxy)benzimidamide as an antimicrobial compound NIT2, B3GNT2, IL4I1 CES1 3721/4885CA1 4794/4885CA2 3151/4885
US-11905264-B1 N′-(2-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-ylthio)acetoxy)-4-nitrobenzimidamide as an antimicrobial compound NIT2, B3GNT2, IL4I1 CES1 3428/4885CA1 4799/4885CA2 2958/4885
US-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF PFKL, IP6K2, IP6K1 CES1 106/4885CA1 4822/4885CA2 4585/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT CES1 2529/4885CA1 763/4885CA2 1416/4885
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 CES1 2929/4885CA1 4795/4885CA2 4478/4885
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 CES1 5/4885CA1 4222/4885CA2 2753/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 CES1 107/4885CA1 1396/4885CA2 1578/4885

“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.