SCHEMBL12973017

SCHEMBL12973017

CC(=O)c1ccc(-c2nc3c(s2)-c2sc(-c4ccc(C(C)=O)cc4)nc2C3=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.46
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
IDO1 P14902 3/20 0.43
TDO2 P48775 3/20 0.43
MAPT P10636 2/20 0.42
HSD17B1 P14061 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL14703271 0.89 HDAC6 (0.48) RARARARBRARGPIK3CDPIK3CA
SCHEMBL12973019 0.80 IDO1 (0.40) RARARARBRARGIDO1TDO2
SCHEMBL13801091 0.78 MAPT (0.48) RARARARBRARGPIK3CDPIK3CA
SCHEMBL12973015 0.76 PTGS2 (0.54) IDO1TDO2ALOX5
SCHEMBL12973020 0.73 IDO1 (0.42) IDO1TDO2MAPTSMN1; SMN2RAB9A
SCHEMBL9629582 0.72 KDM4E (0.70) RARARARBRARGMAPTKDM4E
SCHEMBL15654609 0.71 RAB9A (0.72) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL13639889 0.71 PTGS2 (0.49) IDO1TDO2SMN1; SMN2ALOX5
SCHEMBL12973012 0.70 IDO1 (0.36) RARARARBRARGIDO1TDO2
SCHEMBL23169620 0.70 RAB9A (0.64) MAPTSMN1; SMN2RAB9AKDM4EALDH1A1

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-8378338-B2 Conjugated compound, nitrogenated condensed-ring compound, nitrogenated condensed-ring polymer, organic thin film, and organic thin film element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-8378338-B2 Conjugated compound, nitrogenated condensed-ring compound, nitrogenated condensed-ring polymer, organic thin film, and organic thin film element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT OSAKA UNIVERSITY (JP) 2010-12-02 US disclosed
US-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT OSAKA UNIVERSITY (JP) 2010-12-02 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-20100301314-A1 CONJUGATED COMPOUND, NITROGENATED CONDENSED-RING COMPOUND, NITROGENATED CONDENSED-RING POLYMER, ORGANIC THIN FILM, AND ORGANIC THIN FILM ELEMENT F12, F9, C9 RARA 934/4885RARB 1509/4885RARG 765/4885

“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.