SCHEMBL6803591

SCHEMBL6803591

CC(=O)c1c(-c2ccc(Cl)cc2)sc(Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
TP53 P04637 8/20 0.44
MDM2 Q00987 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GRM6 O15303 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PRKCZ Q05513 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6801615 0.87 GRM6 (0.44) RAB9ATP53MDM2KDM4EALDH1A1
SCHEMBL6803372 0.87 GRM6 (0.55) SMN1; SMN2KDM4EALDH1A1NPC1MEN1
SCHEMBL6803007 0.84 NPC1 (0.44) RAB9ATP53MDM2SMN1; SMN2KDM4E
SCHEMBL6804488 0.84 GRM6 (0.48) TP53MDM2SMN1; SMN2KDM4EALDH1A1
SCHEMBL6809510 0.84 CSNK1A1 (0.50) RAB9ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL6804497 0.80 BRD4 (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6805136 0.79 ROCK1 (0.48) RAB9ATP53MDM2SMN1; SMN2KDM4E
SCHEMBL6803705 0.72 CYP3A4 (0.35) RAB9ASMN1; SMN2ALDH1A1NPC1PKM
SCHEMBL6799207 0.70 CYP1A2 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL6803014 0.70 DAO (0.35) GRM6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP 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 (2 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR RAB9A 3625/4885TP53 3106/4885MDM2 3586/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 RAB9A 4094/4885TP53 3874/4885MDM2 4523/4885

“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.