SCHEMBL4478552

SCHEMBL4478552

O=c1cc(SCc2ccccc2)ccn1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.52
▸ MAOA P21397 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6525377 0.92 ADORA2A (0.46) MAPK14MAOAMAOBADORA2AALDH1A1
SCHEMBL5663169 0.86 MAPK14 (0.45) MAPK14MAOAMAOBADORA2AALDH1A1
SCHEMBL6472397 0.73 MAPK14 (0.58) MAPK14ADORA2AALDH1A1CYP2D6MEN1
SCHEMBL1346298 0.73 MAPK14 (0.58) MAPK14ADORA2AALDH1A1CYP2D6MEN1
SCHEMBL4483047 0.73 MAPK14 (0.58) MAPK14ADORA2AALDH1A1CYP2D6CYP3A4
SCHEMBL27383587 0.73 MAPK14 (0.58) MAPK14ADORA2AALDH1A1CYP2D6MEN1
SCHEMBL1523244 0.73 MAPK14 (0.62) MAPK14ADORA2ACYP2D6MEN1KMT2A
SCHEMBL20936157 0.73 MAPK14 (0.58) MAPK14ADORA2AALDH1A1CYP2D6HDAC6
SCHEMBL3518913 0.73 ABL1 (0.51) MAPK14ADORA2AALDH1A1CYP2D6CYP2C19
SCHEMBL24069747 0.72 MAPK14 (0.56) MAPK14ADORA2AALDH1A1CYP2D6HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 — — US claimed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 — — US claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 — — US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 — — US disclosed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 — — US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 — — US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 — — US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 — — WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 — — 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 (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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885MAOA 1401/4885MAOB 743/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885MAOA 1885/4885MAOB 1959/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885MAOA 980/4885MAOB 560/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885MAOA 1125/4885MAOB 725/4885

“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.

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