SCHEMBL1147223

SCHEMBL1147223

NNC(=O)c1cnc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.57

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
SCHEMBL18530692 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18530688 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL6698774 0.82 NPC1 (0.70) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL8568986 0.82 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL851358 0.79 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29540343 0.79 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27347353 0.79 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5778496 0.79 NPC1 (0.58) SMN1; SMN2RAB9ANPC1POLB
SCHEMBL12522917 0.79 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL12043743 0.78 GRN (0.67) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10

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-8445677-B2 Substituted pyrimidyl guanidine derivatives having anticancer activity UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-05-21 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-20100160313-A1 DISCOVERY OF NOVEL ANTICANCER COMPOUNDS BASED ON CONFORMATIONAL SAMPLING OF QUINOXALINHYDRAZIDE PHARMACOPHORE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-06-24 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 (3 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-20100160313-A1 DISCOVERY OF NOVEL ANTICANCER COMPOUNDS BASED ON CONFORMATIONAL SAMPLING OF QUINOXALINHYDRAZIDE PHARMACOPHORE ABCG2, NQO2, TOP1 SMN1; SMN2 4511/4885ALDH1A1 1121/4885HPGD 1106/4885
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 SMN1; SMN2 248/4885ALDH1A1 1558/4885HPGD 864/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 SMN1; SMN2 248/4885ALDH1A1 1558/4885HPGD 864/4885

“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.