SCHEMBL19129482

SCHEMBL19129482

COc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.64
GUCY1A2 P33402 1/20 0.64
GUCY1A1 Q02108 1/20 0.64
GUCY1B1 Q02153 1/20 0.64
ABCG2 Q9UNQ0 11/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RHOA P61586 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TYMS P04818 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MCL1 Q07820 1/20 0.49
CTSV O60911 1/20 0.49

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
SCHEMBL19129498 0.94 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL19129480 0.90 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL19129402 0.88 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL18832324 0.86 GUCY1B2 (0.60) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL18832326 0.84 GUCY1B2 (0.65) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL19129462 0.83 ABCG2 (0.67) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL19129620 0.81 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL17598037 0.79 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL22860666 0.77 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2
SCHEMBL29495111 0.77 GUCY1B2 (0.77) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204071-A1 ARYL AMINE SUBSTITUTED QUINOXALINE USED AS ANTICANCER DRUGS SHIAU, CHUNG-WAI (TW) 2017-07-20 US disclosed
US-20170204071-A1 ARYL AMINE SUBSTITUTED QUINOXALINE USED AS ANTICANCER DRUGS SHIAU, CHUNG-WAI (TW) 2017-07-20 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 (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-20170204071-A1 ARYL AMINE SUBSTITUTED QUINOXALINE USED AS ANTICANCER DRUGS CIP2A, PPP2CA, PPM1A GUCY1B2 3821/4885GUCY1A2 3430/4885GUCY1A1 4127/4885

“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.