SCHEMBL469903

SCHEMBL469903

CCCOc1ccc(N)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.46
CSNK2A1 P68400 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3788905 0.93 KDM4E (0.50) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL3786884 0.85 MAPT (0.55) MAPTKDM4ECSNK2A1MEN1KMT2A
SCHEMBL1876235 0.85 KMT2A (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL13862115 0.84 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL13261015 0.82 KDM4E (0.64) KDM4EMEN1KMT2AALDH1A1CA12
SCHEMBL11246033 0.82 MAPT (0.60) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL30167072 0.82 MAPT (0.60) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3863505 0.82 KDM4E (0.63) MAPTKDM4EKMT2AHTTPOLB
SCHEMBL5462216 0.81 SMN1; SMN2 (0.49) KDM4EALDH1A1CA12CA1CA9
SCHEMBL2688407 0.81 MAPT (0.54) MAPTKDM4EALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 EP disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 3312/4885KDM4E 2606/4885CSNK2A1 4767/4885

“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.