SCHEMBL19853525

SCHEMBL19853525

Cc1csc(-c2cc(-c3c[nH]c(C)c3)cs2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
GLA P06280 1/20 0.35
TGFBR1 P36897 4/20 0.34
BMPR1A P36894 1/20 0.34
SMAD2 Q15796 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MIF P14174 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL3346355 0.69 SMN1; SMN2 (0.47) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL18157874 0.66 SMN1; SMN2 (0.55) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL3550642 0.65 KMT2A (0.49) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL13680755 0.64 CYP2E1 (0.44) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL8198560 0.63 CYP3A4 (0.60) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL7905176 0.62 CYP3A4 (0.58) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL890218 0.61 NPC1 (0.50) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL30176771 0.61 CYP2C9 (0.41) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL289445 0.61 CYP19A1 (0.48) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL299124 0.60 KDM4E (0.63) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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 (2 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 ATP4A 2294/4885ATP4B 2170/4885CYP3A4 638/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 ATP4A 2294/4885ATP4B 2170/4885CYP3A4 638/4885

“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.