SCHEMBL6804597

SCHEMBL6804597

O=C1CCc2c(Cl)sc(-c3cccnc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
CYP2A6 P11509 8/20 0.42
CYP1A2 P05177 4/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
TYMP P19971 1/20 0.39
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2E1 P05181 3/20 0.37
CYP2B6 P20813 3/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL6804019 0.82 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6805893 0.82 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6804771 0.69 SRD5A1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6799224 0.68 MAPT (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7462795 0.68 GABRG2 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6747700 0.67 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL31435592 0.67 LRRK2 (0.44) ALDH1A1HPGDRAB9A
SCHEMBL31435578 0.65 DRD4 (0.44) ALDH1A1
SCHEMBL14141885 0.63 ALOX5 (0.59) CYP2A6CYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL6744423 0.62 CYP2A6 (0.68) CYP2A6CYP1A2CYP3A4ALDH1A1CYP2C9

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 GABRA1 597/4885GABRG2 863/4885GABRB3 485/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 GABRA1 602/4885GABRG2 927/4885GABRB3 559/4885

“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.