SCHEMBL1504151

SCHEMBL1504151

O=C(O)C(=O)Nc1ccc(Cl)nc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.63
KCNQ2 O43526 14/20 0.63
KCNE1 P15382 11/20 0.58
KCNQ1 P51787 11/20 0.58
BACE1 P56817 1/20 0.57
ALDH1A1 P00352 1/20 0.49
NAPRT Q6XQN6 1/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47

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
SCHEMBL2436172 0.85 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL30568974 0.82 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL6361424 0.82 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL265831 0.82 KCNQ3 (0.72) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL203109 0.81 KCNQ3 (0.54) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL11728090 0.79 RAB9A (0.52) RAB9ASMN1; SMN2PTPN1PTPN11
SCHEMBL16785423 0.79 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5629234 0.79 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5629229 0.79 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5217004 0.77 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (11 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 KCNQ3 3423/4885KCNQ2 2791/4885KCNE1 2169/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL KCNQ3 657/4885KCNQ2 399/4885KCNE1 524/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 KCNQ3 548/4885KCNQ2 603/4885KCNE1 310/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R KCNQ3 709/4885KCNQ2 871/4885KCNE1 640/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R KCNQ3 709/4885KCNQ2 871/4885KCNE1 640/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KCNQ3 709/4885KCNQ2 871/4885KCNE1 640/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R KCNQ3 421/4885KCNQ2 576/4885KCNE1 621/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 KCNQ3 171/4885KCNQ2 238/4885KCNE1 347/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KCNQ3 709/4885KCNQ2 871/4885KCNE1 640/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 KCNQ3 3423/4885KCNQ2 2791/4885KCNE1 2169/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R KCNQ3 517/4885KCNQ2 672/4885KCNE1 521/4885

“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.