SCHEMBL8775712

SCHEMBL8775712

CCc1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
ATR Q13535 1/20 0.36
GRM5 P41594 1/20 0.35
TRPA1 O75762 1/20 0.35
TLR8 Q9NR97 1/20 0.34
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
LMNA P02545 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
SCHEMBL8775990 0.86 CYP1A2 (0.44) CYP1A2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL8776650 0.82 CYP1A2 (0.38) CYP1A2TRPM8MEN1NPC1RAB9A
SCHEMBL8775528 0.81 CYP1A2 (0.44) CYP1A2MEN1NPC1RAB9AKMT2A
SCHEMBL8775908 0.81 HPGD (0.44) CYP1A2MEN1NPC1KMT2APOLB
SCHEMBL8776152 0.80 CYP1A2 (0.40) CYP1A2TRPM8MEN1NPC1RAB9A
SCHEMBL3629022 0.80 TLR8 (0.45) MEN1RAB9AKMT2AATRGRM5
SCHEMBL8775074 0.80 CYP1A2 (0.53) CYP1A2MEN1NPC1RAB9AKMT2A
SCHEMBL8775218 0.79 CYP1A2 (0.42) CYP1A2MEN1NPC1RAB9AKMT2A
SCHEMBL8776109 0.79 PIK3CD (0.43) CYP1A2RAB9AKMT2APOLBLMNA
SCHEMBL8776096 0.78 KDM4C (0.45) CYP1A2MEN1KMT2AGRM5USP1

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
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
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 (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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 CYP1A2 18/4885TRPM8 2364/4885MEN1 571/4885

“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.