SCHEMBL16362000

SCHEMBL16362000

CCN(CC)C(=N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.79
KLK1 P06870 1/20 0.57
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
KCNH2 Q12809 1/20 0.49

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
SCHEMBL10181912 0.89 F10 (0.80) F10NPC1TP53RAB9AKCNH2
SCHEMBL10177802 0.89 F10 (0.77) F10KLK1KMT2ATDP1KCNH2
SCHEMBL12132560 0.88 F10 (1.00) F10KCNH2
SCHEMBL15090378 0.88 F10 (0.67) F10KLK1KMT2ATDP1NPC1
SCHEMBL14404591 0.86 F10 (0.76) F10KCNH2
SCHEMBL10177762 0.83 F10 (0.61) F10KLK1KMT2ATDP1NPC1
SCHEMBL12132551 0.83 F10 (0.63) F10KLK1KMT2ATDP1NPC1
SCHEMBL890779 0.83 F10 (0.76) F10KLK1KMT2ATDP1NPC1
SCHEMBL13349191 0.82 F10 (0.54) F10KLK1KMT2ATDP1NPC1
SCHEMBL15090374 0.82 F10 (0.71) F10KLK1KMT2ATDP1KCNH2

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-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 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-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KLK1 637/4885KMT2A 1317/4885

“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.