SCHEMBL5269547

SCHEMBL5269547

O=[N+]([O-])c1cccc(-c2c[nH]cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
PGR P06401 1/20 0.48
CSNK2A1 P68400 1/20 0.47
PLK1 P53350 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 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
SCHEMBL1876057 0.80 RAB9A (0.47) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL30461135 0.78 RAB9A (0.69) IDO1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL30461136 0.78 RAB9A (0.69) IDO1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6738366 0.75 TSHR (0.76) IDO1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4585369 0.75 IDO1 (0.56) IDO1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7137082 0.75 GUSB (0.55) IDO1RAB9ANPC1MAPTSMN1; SMN2
4-Nitrobenzoic Acid SCHEMBL17460232 0.75 TDP1 (0.55) MAPTALDH1A1CSNK2A1TDP1
SCHEMBL6231939 0.74 RAB9A (0.60) IDO1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2643483 0.74 NPC1 (0.67) IDO1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29496950 0.74 NPC1 (0.67) IDO1RAB9ANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078163-B2 Processes for the synthesis of substituted urea compounds Bial-Portela & Cª, S.A. (PT) 2021-08-03 US disclosed
US-11078163-B2 Processes for the synthesis of substituted urea compounds Bial-Portela & Cª, S.A. (PT) 2021-08-03 US disclosed
US-11046654-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2021-06-29 US disclosed
US-11046654-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2021-06-29 US disclosed
CN-105934431-B Process for preparing substituted urea compounds 比亚尔-珀特拉和CA股份公司 2020-11-17 CN disclosed
US-20200255412-A1 Imidazolecarboxamides and Their Use as FAAH Inhibitors BIAL-PORTELA & CA SA (PT) 2020-08-13 US disclosed
US-20200140391-A1 Processes for the Synthesis of Substituted Urea Compounds BIAL-PORTELA & CA, S.A. (PT) 2020-05-07 US disclosed
US-20200140391-A1 Processes for the Synthesis of Substituted Urea Compounds BIAL-PORTELA & CA, S.A. (PT) 2020-05-07 US disclosed
EP-3097082-B1 PROCESSES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & CA SA (PT) 2019-10-02 EP disclosed
EP-3097082-B1 PROCESSES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & CA SA (PT) 2019-10-02 EP disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
US-6403302-B1 DOUBLE HELICAL NUCLEIC ACID COMPRISING COMPLEMENTARY STRANDS AND OLIGONUCLEOTIDE BOUND TO TARGET SEQUENCE WITHIN; GENETIC ENGINEERING; DIAGNOSING GENE DISORDERS; ANTIPARALLEL ORIENTATION; NON-DENATURING CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-06-11 US disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO 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 (4 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-11046654-B2 Urea compounds and their use as enzyme inhibitors ACHE, GAA, GYS2 IDO1 430/4885RAB9A 427/4885NPC1 305/4885
US-20200140391-A1 Processes for the Synthesis of Substituted Urea Compounds GRHPR, REN, ODC1 IDO1 2946/4885RAB9A 1634/4885NPC1 3091/4885
US-20200255412-A1 Imidazolecarboxamides and Their Use as FAAH Inhibitors FAAH, FAAH2, AADAC IDO1 201/4885RAB9A 2331/4885NPC1 609/4885
US-11078163-B2 Processes for the synthesis of substituted urea compounds GRHPR, REN, ODC1 IDO1 2946/4885RAB9A 1634/4885NPC1 3091/4885

“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.