SCHEMBL2886185

SCHEMBL2886185

O=C(O)NCCc1ncc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
APOBEC3A P31941 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
NPC1 O15118 4/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
LTC4S Q16873 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL3633129 0.83 APLNR (0.46) RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL3716792 0.81 ALDH1A1 (0.38) RAB9AKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL2846514 0.77 HIF1A (0.51) RAB9ASMN1; SMN2NPC1
SCHEMBL5779927 0.77 ALDH1A1 (0.44) RAB9AKDM4EPOLBSMN1; SMN2APOBEC3A
SCHEMBL18990622 0.76 HDAC3 (0.41) RAB9AKDM4EALDH1A1TSHRNPC1
SCHEMBL18260830 0.75 NPC1 (0.42) RAB9AKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL26970720 0.75 TSHR (0.45) KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL20876682 0.74 HDAC3 (0.39) RAB9AKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL16540928 0.74 GLA (0.40) RAB9AKDM4EPOLBSMN1; SMN2APOBEC3A
SCHEMBL2947631 0.74 AGBL2 (0.36) RAB9AKDM4EPOLBSMN1; SMN2APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555079-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF Isocure Biosciences Inc. (US) 2019-10-23 EP disclosed
WO-2018118793-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC. (US) 2018-06-28 WO disclosed
US-20100105702-A1 Heterocyclylethylamide derivatives BAYER CROPSCIENCE AG (DE) 2010-04-29 US disclosed
US-20090093490-A1 HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US disclosed
EP-1888535-B1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-11-19 EP disclosed
EP-1888535-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-02-20 EP disclosed
EP-1879871-A1 NEW HETEROCYCLYLETHYLAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-01-23 EP disclosed
WO-2006117358-A9 NEW HETEROCYCLYLETHYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-10-18 WO disclosed
WO-2006117356-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-11-09 WO disclosed
WO-2006117358-A1 NEW HETEROCYCLYLETHYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-11-09 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 (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-20090093490-A1 HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES CYP1A2, CYP51A1, CYP1B1 RAB9A 1276/4885KDM4E 1506/4885POLB 2079/4885
US-20100105702-A1 Heterocyclylethylamide derivatives CYP1A2, CYP3A7, CYP51A1 RAB9A 1633/4885KDM4E 1682/4885POLB 3506/4885

“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.