SCHEMBL1367352

SCHEMBL1367352

O=C(Cc1ccc(Cl)cc1)c1cc2c(Br)cc(Br)cc2sc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA2 P00918 3/20 0.36
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34

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
SCHEMBL1369341 0.85 PIK3CA (0.35) PIK3CAMAPTRAB9ANPC1LMNA
SCHEMBL4348616 0.85 GAA (0.36) MAPTKMT2AMAPK1GAAL3MBTL1
SCHEMBL1366877 0.85 SMN1; SMN2 (0.45) MAPTMEN1KMT2ACYP3A4HPGD
SCHEMBL1370309 0.82 VCAM1 (0.36) PIK3CAMAPTMEN1KMT2A
SCHEMBL1370632 0.77 PIK3CA (0.47) PIK3CAMAPTMEN1KMT2ACYP3A4
SCHEMBL1369126 0.76 PIK3CA (0.41) PIK3CAMAPTMEN1KMT2ACYP3A4
SCHEMBL1367378 0.76 CA12 (0.57) PIK3CAMAPTMEN1KMT2ACYP3A4
SCHEMBL4349482 0.75 SMN1; SMN2 (0.42) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL830655 0.73 MIF (0.34) MAPTMEN1KMT2ACYP3A4HPGD
SCHEMBL5815626 0.69 CA12 (0.32) CA2CA12CA1CA9

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 PIK3CA 1479/4885MAPT 4718/4885MEN1 1108/4885

“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.