SCHEMBL805112

SCHEMBL805112

COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(C)cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.58
▸ NPC1 O15118 6/20 0.58
▸ MITF O75030 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ F10 P00742 7/20 0.58
▸ F2 P00734 2/20 0.58
▸ KCNH2 Q12809 2/20 0.58
▸ POLB P06746 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ F9 P00740 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ F7 P08709 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ DEGS1 O15121 3/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.49
▸ LMNA P02545 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
SCHEMBL890791 0.89 F10 (0.57) RAB9ANPC1MITFF10F2
SCHEMBL10177863 0.89 F10 (0.57) RAB9ANPC1F10F2KCNH2
SCHEMBL14366426 0.89 F10 (0.58) RAB9ANPC1F10F2KCNH2
SCHEMBL254113 0.89 F10 (0.72) F10F2KCNH2
SCHEMBL14366428 0.89 F10 (0.56) RAB9ANPC1F10F2KCNH2
Hydrochloric Acid SCHEMBL160886 0.89 F10 (0.71) F10F2KCNH2
SCHEMBL14448366 0.87 F10 (0.54) RAB9ANPC1F10F2KCNH2
SCHEMBL14404554 0.87 F10 (0.54) RAB9AF10F2KCNH2POLB
SCHEMBL14366388 0.86 F10 (0.71) F10KCNH2
SCHEMBL12134213 0.83 F10 (0.81) F10F2KCNH2

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-20120071519-A1 CRYSTALLINE FORMS OF A FACTOR Xa INHIBITOR ALEXION PHARMACEUTICALS, INC. 2012-03-22 — — 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
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 — — 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-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 RAB9A 1961/4885NPC1 2404/4885MITF 1244/4885
US-20120071519-A1 CRYSTALLINE FORMS OF A FACTOR Xa INHIBITOR F12, F9, F11 RAB9A 2132/4885NPC1 3178/4885MITF 1949/4885

“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.

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