SCHEMBL1367652

SCHEMBL1367652

O=C(Cc1ccc(Cl)cc1)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PIK3CA P42336 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL1369068 0.88 DAO (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1368749 0.84 IDO1 (0.44) IDO1KDM4EALDH1A1DAODDO
SCHEMBL1368542 0.83 RXFP1 (0.45) IDO1KDM4EMAPTMEN1KMT2A
SCHEMBL1368970 0.83 ALDH1A1 (0.65) IDO1KDM4EMAPTMEN1KMT2A
SCHEMBL34468745 0.81 KMT2A (0.65) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1368190 0.80 MAPT (0.42) IDO1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1368873 0.79 DAO (0.56) IDO1KDM4EMAPTALDH1A1DAO
SCHEMBL97230 0.78 DAO (0.38) IDO1KDM4EMAPTMEN1KMT2A
SCHEMBL1368535 0.78 ALDH1A1 (0.51) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL1366680 0.77 PADI4 (0.55) KDM4EMAPTMEN1KMT2AALDH1A1

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 IDO1 4188/4885KDM4E 2293/4885MAPT 4718/4885

“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.