SCHEMBL12092482

SCHEMBL12092482

CCc1ccccc1-c1c[nH]cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.40
▸ TRPA1 O75762 1/20 0.38
▸ ATR Q13535 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ADORA2A P29274 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CSNK2A3 Q8NEV1 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ RET P07949 1/20 0.33
▸ CCNB1 P14635 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
SCHEMBL1115097 0.82 ATR (0.39) TLR8ATRCCNT1CDK2CDK9
SCHEMBL12833460 0.82 KCNN4 (0.33) —
SCHEMBL12089082 0.81 GABRA1 (0.38) ADORA2ACYP2D6CYP1A2GABRA1GABRB2
SCHEMBL1907431 0.79 SETDB1 (0.44) CYP2D6CYP1A2MAPTNPSR1L3MBTL1
SCHEMBL24352636 0.78 BCHE (0.40) CDK1
SCHEMBL1502229 0.76 HRH3 (0.42) TAAR1MAPTL3MBTL1
SCHEMBL8692355 0.76 SIGMAR1 (0.46) TLR8HTR1A
SCHEMBL8306245 0.76 IDO1 (0.47) CYP2D6CYP1A2MAPTNPSR1
SCHEMBL30708547 0.76 IDO1 (0.47) CYP2D6CYP1A2MAPTNPSR1
Benzene SCHEMBL27958568 0.75 GUSB (0.45) MAPTL3MBTL1

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-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-07-09 — — US disclosed
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-09-06 — — 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 (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-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 TLR8 4799/4885TRPA1 4744/4885ATR 834/4885
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 TLR8 2733/4885TRPA1 743/4885ATR 2925/4885

“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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