SCHEMBL1370189

SCHEMBL1370189

O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2sc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
P2RX1 P51575 1/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
VCAM1 P19320 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MAPT P10636 3/20 0.37
SLC10A2 Q12908 1/20 0.35
SLC10A1 Q14973 1/20 0.35

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
SCHEMBL1367647 0.91 P2RX1 (0.39) ALDH1A1AKR1B10AKR1B1KDM4EPOLB
SCHEMBL1368543 0.88 CA12 (0.47) ALDH1A1AKR1B10AKR1B1KDM4EPOLB
SCHEMBL1367470 0.82 PIK3CA (0.38) ALDH1A1AKR1B1KDM4EHPGDCYP3A4
SCHEMBL1368332 0.80 TSHR (0.54) ALDH1A1KDM4EPOLBCYP1A2TSHR
SCHEMBL1370309 0.79 VCAM1 (0.36) ALDH1A1AKR1B10AKR1B1KDM4EPOLB
SCHEMBL1368421 0.79 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL830702 0.77 TXNRD1 (0.40) ALDH1A1AKR1B10AKR1B1KDM4EPOLB
SCHEMBL1366882 0.77 DAO (0.42) ALDH1A1AKR1B10AKR1B1KDM4EPOLB
SCHEMBL1365704 0.75 MEN1 (0.50) ALDH1A1HPGDCYP3A4MEN1KMT2A
SCHEMBL1368096 0.74 CA12 (0.45) ALDH1A1AKR1B1KDM4EHPGDCYP1A2

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-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
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 617/4885AKR1B10 1171/4885AKR1B1 1140/4885

“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.