SCHEMBL1369287

SCHEMBL1369287

O=C(CC(=O)c1cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2sc1=O)c1cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2sc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
GPR35 Q9HC97 5/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TTR P02766 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1367177 0.89 ALDH1A1 (0.41) ALDH1A1LMNATDP1TSHRGPR35
SCHEMBL1366648 0.79 MAPT (0.42) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL831767 0.74 TDP1 (0.40) ALDH1A1TDP1TSHRGPR35KMT2A
SCHEMBL832723 0.74 TDP1 (0.37) ALDH1A1TDP1TSHRGPR35KMT2A
SCHEMBL1368991 0.74 GPR35 (0.55) ALDH1A1GPR35MAPTMAOAMAOB
SCHEMBL1371068 0.73 GPR35 (0.48) ALDH1A1LMNAGPR35KMT2AMEN1
SCHEMBL1371071 0.73 ALDH1A1 (0.37) ALDH1A1LMNATDP1GPR35KMT2A
SCHEMBL1368146 0.69 MEN1 (0.44) ALDH1A1LMNATDP1TSHRGPR35
SCHEMBL15153601 0.64 ALDH1A1 (0.49) ALDH1A1LMNATDP1TSHRGPR35
SCHEMBL11776637 0.64 KMT2A (0.63) ALDH1A1LMNATDP1TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS ALDH1A1 617/4885LMNA 1399/4885TDP1 2512/4885

“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.