SCHEMBL13663884

SCHEMBL13663884

CCCCOc1ccc(/C=N/c2ccc(F)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP2C9 P11712 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAOB P27338 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ FAAH O00519 9/20 0.40
▸ TSHR P16473 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PDE2A O00408 1/20 0.39

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
SCHEMBL14035606 0.88 GAA (0.46) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL11696381 0.80 FAAH (0.55) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL14573137 0.80 FAAH (0.55) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL9946939 0.80 FAAH (0.55) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL4299698 0.79 MAOB (0.67) GAAALDH1A1MAOBMAPT
SCHEMBL3824529 0.79 MAOB (0.67) GAAALDH1A1MAOBMAPT
SCHEMBL13971346 0.78 HPGD (0.44) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL14206850 0.76 GAA (0.52) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL11406654 0.76 GRIN2D (0.53) GAAALDH1A1MAOBMAPTTSHR
SCHEMBL11406653 0.76 GRIN2D (0.53) GAAALDH1A1MAOBMAPTTSHR

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-20090264402-A1 NOVEL DIPHENYLAZETIDINONE SUBSTITUTED BY PIPERAZINE-1-SULFONIC ACID AND HAVING IMPROVED PHARMACOLOGICAL PROPERTIES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-22 — — US disclosed
WO-2008052658-A1 NOVEL DIPHENYLAZETIDINONE SUBSTITUTED BY PIPERAZINE-1-SULFONIC ACID HAVING IMPROVED PHARMACOLOGICAL PROPERTIES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-05-08 — — 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 (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-20090264402-A1 NOVEL DIPHENYLAZETIDINONE SUBSTITUTED BY PIPERAZINE-1-SULFONIC ACID AND HAVING IMPROVED PHARMACOLOGICAL PROPERTIES DPP7, SCN5A, DCTN1 GAA 1143/4885ALDH1A1 24/4885LMNA 3943/4885

“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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