SCHEMBL4522606

SCHEMBL4522606

O=C(NNc1nc2ccccc2n2cccc12)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 5/20 0.50
LMNA P02545 5/20 0.50
GAA P10253 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.44
NOD1 Q9Y239 1/20 0.44
HTT P42858 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 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
SCHEMBL12658927 0.90 GAA (0.53) NPC1RAB9AKDM4ELMNAGAA
SCHEMBL4560039 0.87 MAPT (0.47) NPC1RAB9AKDM4ELMNAGAA
SCHEMBL12114614 0.83 CYP1A2 (0.50) NPC1RAB9AKDM4ELMNAGAA
SCHEMBL1147833 0.83 OPRK1 (0.47) NPC1RAB9AKDM4ELMNAGAA
SCHEMBL1147757 0.82 ALDH1A1 (0.45) KDM4ELMNAGAAALDH1A1RXFP1
SCHEMBL1147754 0.82 PTPN1 (0.44) KDM4EGAAALDH1A1MAPT
SCHEMBL1310608 0.81 ALDH1A1 (0.53) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL4498058 0.81 IRAK4 (0.41) KDM4EALDH1A1MAPTPOLBHTT
SCHEMBL1147233 0.79 HSD17B1 (0.41) KDM4ELMNAGAAALDH1A1MAPT
SCHEMBL1147764 0.79 CTNNB1 (0.40) NPC1RAB9AMAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 US disclosed
US-7947682-B2 Substituted N′-pyrrolo[1,2-a]quinoxalin-4-yl-hydrazides as anti-cancer agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-05-24 US disclosed
US-7947682-B2 Substituted N′-pyrrolo[1,2-a]quinoxalin-4-yl-hydrazides as anti-cancer agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-05-24 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 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-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG NPC1 3375/4885RAB9A 2858/4885KDM4E 3815/4885
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 NPC1 3694/4885RAB9A 3200/4885KDM4E 3554/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 NPC1 3694/4885RAB9A 3200/4885KDM4E 3554/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 NPC1 3694/4885RAB9A 3200/4885KDM4E 3554/4885

“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.