SCHEMBL13348708

SCHEMBL13348708

COc1ccc(NCc2ccc(C(=N)N3CCCC3)cc2)c(C(=O)Nc2ccc(C)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.52
KCNH2 Q12809 7/20 0.51
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
F2 P00734 2/20 0.48
F9 P00740 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
F7 P08709 1/20 0.48
PRSS3 P35030 1/20 0.48
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12134412 0.99 F10 (0.53) F10KCNH2NPC1MITFTP53
SCHEMBL14308145 0.98 F10 (0.52) F10KCNH2NPC1MITFTP53
SCHEMBL10178263 0.91 F10 (0.65) F10KCNH2F2
SCHEMBL12134306 0.91 F10 (0.57) F10KCNH2
SCHEMBL10178870 0.90 F10 (0.65) F10KCNH2F2
SCHEMBL14629794 0.90 F10 (0.52) F10KCNH2F2
SCHEMBL14629793 0.89 F10 (0.51) F10KCNH2F2
SCHEMBL10178863 0.89 F10 (0.65) F10KCNH2F2
SCHEMBL12134630 0.88 F10 (0.54) F10KCNH2
SCHEMBL13348788 0.87 F10 (0.66) F10KCNH2NPC1MITFTP53

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-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 (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-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 F10 19/4885KCNH2 2996/4885NPC1 2404/4885

“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.