SCHEMBL4779693

SCHEMBL4779693

CCOC(OCC)c1nc2cc(C#N)ccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.41
▸ ALOX5AP P20292 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTGER4 P35408 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 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
SCHEMBL4841605 0.84 S1PR1 (0.44) S1PR1ALOX5APKDM4EALDH1A1GLA
SCHEMBL19857795 0.76 CYP2D6 (0.52) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL13677298 0.75 GRM2 (0.47) S1PR1ALOX5APKDM4EALDH1A1GLA
SCHEMBL23458895 0.73 BRPF1 (0.39) RORCCYP11B1CYP11B2
SCHEMBL29965268 0.73 BRPF1 (0.39) RORCCYP11B1CYP11B2
SCHEMBL4725162 0.72 ATM (0.46) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL10953589 0.72 KDM4E (0.50) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL21688805 0.71 KDM4E (0.48) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL4726057 0.71 RORC (0.49) S1PR1ALOX5APKDM4EALDH1A1GLA
SCHEMBL13677358 0.69 KDM4E (0.49) KDM4EALDH1A1GLAGAAPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 — — US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 — — WO disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 — — 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 S1PR1 2687/4885ALOX5AP 3882/4885KDM4E 2254/4885

“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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