SCHEMBL10178723

SCHEMBL10178723

N=C(N)c1cccc(NC(=O)c2ccccc2C(=O)Nc2ccc(-c3ccccc3S)cc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.50
KLK5 Q9Y337 1/20 0.50
F10 P00742 9/20 0.48
PRSS1 P07477 8/20 0.48
PRSS2 P07478 6/20 0.48
PRSS3 P35030 6/20 0.48
F2 P00734 6/20 0.47
KLKB1 P03952 1/20 0.46
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL10178746 0.90 F10 (0.46) KLK1KLK5F10PRSS1PRSS2
SCHEMBL10143891 0.85 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL10178562 0.79 F10 (0.55) F10PRSS1PRSS2PRSS3F2
SCHEMBL12134667 0.78 F10 (0.48) KLK1F10PRSS1PLAT
SCHEMBL12131819 0.76 F10 (0.56) F10PRSS1PRSS2PRSS3F2
SCHEMBL10181486 0.76 F10 (0.49) KLK1F10PRSS1F2KLKB1
SCHEMBL10178439 0.75 F10 (0.43) KLK1F10PRSS1PRSS2PRSS3
SCHEMBL10178363 0.73 F10 (0.53) KLK1F10PRSS1PLAT
SCHEMBL7661381 0.73 LMNA (0.65) F10PRSS1PRSS2PRSS3F2
SCHEMBL679294 0.72 PLAU (0.51) F10PRSS1PRSS2PRSS3MAPT

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 6 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
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 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 (3 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-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS KLK1 1672/4885KLK5 1558/4885F10 19/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KLK1 637/4885KLK5 410/4885F10 13/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KLK1 637/4885KLK5 410/4885F10 13/4885

“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.