SCHEMBL8776620

SCHEMBL8776620

CCOc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ S1PR1 P21453 4/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PDE10A Q9Y233 3/20 0.35
▸ S1PR3 Q99500 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL3785974 0.89 ALDH1A1 (0.46) CYP1A2KDM4EALDH1A1MAPK1PDE10A
SCHEMBL29360950 0.89 ALDH1A1 (0.46) CYP1A2KDM4EALDH1A1MAPK1PDE10A
SCHEMBL30094573 0.89 S1PR1 (0.38) CYP1A2FAAHS1PR1TLR8KDM4E
SCHEMBL27175932 0.89 S1PR1 (0.38) CYP1A2FAAHS1PR1TLR8KDM4E
SCHEMBL8776630 0.88 PDE10A (0.46) CYP1A2FAAHS1PR1TLR8PDE10A
SCHEMBL8777022 0.87 CYP1A2 (0.46) CYP1A2PDE10AKITNPC1MAPT
SCHEMBL3789618 0.86 CYP1A2 (0.45) CYP1A2KDM4EALDH1A1MAPK1PDE10A
SCHEMBL30129477 0.86 CYP1A2 (0.45) CYP1A2KDM4EALDH1A1MAPK1PDE10A
SCHEMBL8775925 0.85 S1PR1 (0.41) CYP1A2FAAHS1PR1TLR8KDM4E
SCHEMBL3785988 0.83 CYP1A2 (0.45) CYP1A2PDE10ANPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200079801-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 — — US disclosed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 — — WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 — — US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 — — 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 (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-20200079801-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES PIK3C3, DPM1, ERG28 CYP1A2 110/4885FAAH 4356/4885S1PR1 3166/4885
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 CYP1A2 18/4885FAAH 3732/4885S1PR1 2621/4885

“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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