SCHEMBL1368543

SCHEMBL1368543

O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2sc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
VCAM1 P19320 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39

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 0.88 P2RX1 (0.39) MEN1KMT2AMAPTTNFNOD1
SCHEMBL1370189 0.88 ALDH1A1 (0.40) MEN1KMT2AMAPTVCAM1ALDH1A1
SCHEMBL1367697 0.84 MEN1 (0.45) CA12CA1CA2CA4CA5A
SCHEMBL1370451 0.81 CA12 (0.51) CA12CA1CA2CA4CA5A
SCHEMBL1370309 0.80 VCAM1 (0.36) MEN1KMT2AMAPTTNFNOD1
SCHEMBL5817803 0.80 KMT2A (0.40) MEN1KMT2AMAPTTNFNOD1
SCHEMBL1367378 0.80 CA12 (0.57) CA12CA1CA2CA4CA5A
SCHEMBL1368190 0.79 MAPT (0.42) MEN1KMT2AMAPTTNFNOD1
SCHEMBL829567 0.77 TXNRD1 (0.41) MEN1KMT2AMAPTVCAM1ALDH1A1
SCHEMBL1368421 0.75 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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 CA12 4005/4885CA1 4493/4885CA2 3563/4885

“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.