SCHEMBL19129462

SCHEMBL19129462

COc1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(OC)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.67
GUCY1B2 O75343 1/20 0.60
GUCY1A2 P33402 1/20 0.60
GUCY1A1 Q02108 1/20 0.60
GUCY1B1 Q02153 1/20 0.60
RHOA P61586 1/20 0.58
PTGES O14684 1/20 0.55
ALOX5 P09917 1/20 0.55
MAPT P10636 1/20 0.53
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL18832326 0.87 GUCY1B2 (0.65) ABCG2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL19129498 0.86 GUCY1B2 (0.71) ABCG2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL22860728 0.84 GUCY1B2 (0.64) ABCG2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL19129482 0.83 GUCY1B2 (0.64) ABCG2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL19129620 0.83 GUCY1B2 (0.55) ABCG2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL2843230 0.82 KDM4E (0.65) ABCG2PTGESALOX5MAPTNPC1
SCHEMBL17597920 0.82 GUCY1B2 (0.73) ABCG2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL17598175 0.82 GUCY1B2 (0.76) ABCG2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL8901888 0.81 ABCG2 (0.76) ABCG2
SCHEMBL22860661 0.81 EGFR (0.67) ABCG2GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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 ABCG2 2731/4885GUCY1B2 3821/4885GUCY1A2 3430/4885

“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.