SCHEMBL10179737

SCHEMBL10179737

CNC(=N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(C)cn2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
PKM P14618 1/20 0.51
F10 P00742 8/20 0.49
KCNH2 Q12809 2/20 0.49
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MITF O75030 1/20 0.42
KMT2A Q03164 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SORT1 Q99523 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL12133048 0.90 F10 (0.62) F10KCNH2SMN1; SMN2
SCHEMBL10181011 0.90 NPC1 (0.52) NPC1RAB9APKMF10KCNH2
SCHEMBL12134527 0.89 F10 (0.62) NPC1RAB9APKMF10KCNH2
SCHEMBL14629802 0.88 F10 (0.47) NPC1RAB9APKMF10KCNH2
SCHEMBL10178348 0.86 F10 (0.61) NPC1RAB9APKMF10KDM4E
SCHEMBL13348899 0.85 F10 (0.49) NPC1RAB9APKMF10KCNH2
SCHEMBL12134453 0.85 NPC1 (0.60) NPC1RAB9AF10KCNH2KDM4E
SCHEMBL12134259 0.85 F10 (0.49) NPC1RAB9APKMF10KCNH2
SCHEMBL12134599 0.84 F10 (0.55) NPC1RAB9AF10KCNH2KDM4E
SCHEMBL10179590 0.79 F10 (0.77) F10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7727982-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 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-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPC1 2184/4885RAB9A 2674/4885PKM 2261/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPC1 2184/4885RAB9A 2674/4885PKM 2261/4885

“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.