SCHEMBL7601925

SCHEMBL7601925

CCc1cc(SC)ccc1-c1ccc(-c2cccnc2)c(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2A6 P11509 10/20 0.41
CYP2C19 P33261 9/20 0.41
CYP2C9 P11712 8/20 0.41
CYP2D6 P10635 7/20 0.41
CYP2E1 P05181 7/20 0.41
CYP3A4 P08684 7/20 0.41
CYP2B6 P20813 7/20 0.41
CYP1A2 P05177 1/20 0.38
F2 P00734 1/20 0.35

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
SCHEMBL7104819 0.81 PTGS2 (0.49) MAOAMAOB
SCHEMBL7154393 0.66 MAOA (0.42) MAOAMAOBCYP2A6
SCHEMBL7154386 0.66 MAOA (0.38) MAOAMAOBCYP2A6CYP2C19CYP2C9
SCHEMBL9285273 0.64 KCNA5 (0.59) CYP2A6CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL1651235 0.63 CYP2A6 (0.55) CYP2A6CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL1650990 0.63 CYP2A6 (0.51) CYP2A6CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL1422431 0.63 KDM4E (0.60) CYP2C19CYP3A4CYP1A2
SCHEMBL1423179 0.62 NPC1 (0.64) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL1652238 0.62 KDM4E (0.49) CYP2A6CYP2C19CYP2C9CYP2D6CYP2E1
SCHEMBL1652338 0.62 CYP2A6 (0.50) CYP2A6CYP2C19CYP2C9CYP2D6CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465509-B2 FOR THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT MERCK FROSST CANADA & CO. (CA) 2002-10-15 US disclosed
US-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent MERCK FROSST CANADA LTD. (CA) 2002-05-16 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 (1 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-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent PTGS1, PTGES2, PTGS2 MAOA 1167/4885MAOB 1177/4885CYP2A6 208/4885

“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.