SCHEMBL16265181

SCHEMBL16265181

CCc1c(C)nc2ccc(Cl)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 3/20 0.36
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TNF P01375 1/20 0.34
PDE10A Q9Y233 5/20 0.33
DYRK3 O43781 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32

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
SCHEMBL17283445 0.85 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL15690033 0.85 PDE10A (0.45) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL16010651 0.84 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL18875749 0.82 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL14881700 0.81 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL12798307 0.78 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL18378571 0.76 PDE10A (0.43) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL22591291 0.76 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL29733306 0.75 ALDH1A1 (0.33) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL477062 0.75 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273243-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-30 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-20170355727-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE IONIS PHARMACEUTICALS, INC. (US) 2017-12-14 US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 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 (4 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-10273243-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 KDM4E 1332/4885ALDH1A1 2473/4885SMN1; SMN2 4397/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 564/4885ALDH1A1 1480/4885SMN1; SMN2 2001/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 564/4885ALDH1A1 1480/4885SMN1; SMN2 2001/4885
US-20170355727-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE GNE, GALNT1, GALNT6 KDM4E 3756/4885ALDH1A1 974/4885SMN1; SMN2 677/4885

“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.