SCHEMBL13917342

SCHEMBL13917342

c1csc(-c2ccc(-c3ccc(-c4cccs4)cn3)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
CYP2E1 P05181 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2B6 P20813 1/20 0.53
LTA4H P09960 1/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47

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
SCHEMBL10408880 0.94 KDM4E (0.52) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL12727899 0.89 KDM4E (0.52) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL18078699 0.89 SMN1; SMN2 (0.51) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL10160337 0.88 KDM4E (0.55) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL10726997 0.85 FYN (0.58) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL28373020 0.82 CYP2A6 (0.74) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL18419721 0.81 FYN (0.52) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL10964644 0.81 KDM1A (0.47) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL2827765 0.81 FYN (0.56) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6
SCHEMBL12436893 0.80 CDK8 (0.46) CYP2C9CYP2E1CYP3A4CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090058276-A1 METAL-CONTAINING POLYMERS and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-03-05 US disclosed
US-20090058276-A1 METAL-CONTAINING POLYMERS and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-03-05 US 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-20090058276-A1 METAL-CONTAINING POLYMERS and uses thereof PICALM, PUF60, THEM6 CYP2C9 4272/4885CYP2E1 4633/4885CYP3A4 4468/4885

“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.