SCHEMBL3787403

SCHEMBL3787403

CCCCOc1ccc(Cl)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54
HTT P42858 2/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL363534 0.91 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3785269 0.86 CYP1A2 (0.58) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL359320 0.84 HTT (0.51) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL14194196 0.84 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3794233 0.83 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3794601 0.83 L3MBTL1 (0.53) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29684402 0.82 HTR2C (0.52) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL360551 0.82 HTR2C (0.52) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL358810 0.82 PRSS1 (0.47) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10876363 0.81 KDM4E (0.79) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0362729-A1 Process for producing water insoluble azo dyes on the fibre HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPT 3312/4885CYP1A2 170/4885CYP2C9 157/4885

“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.