SCHEMBL209867

SCHEMBL209867

O=C(O)C(=O)Nc1ccc(Cl)cn1.[LiH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.68
PTK2 Q05397 1/20 0.64
RAB9A P51151 10/20 0.58
NPC1 O15118 6/20 0.58
TDP1 Q9NUW8 2/20 0.57
BRD4 O60885 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
TSHR P16473 3/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
STAT1 P42224 1/20 0.54
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
GLA P06280 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL614739 0.98 L3MBTL1 (0.70) L3MBTL1PTK2RAB9ANPC1TDP1
Lithium SCHEMBL209869 0.96 L3MBTL1 (0.68) L3MBTL1PTK2RAB9ANPC1TDP1
Hydrochloric Acid SCHEMBL329950 0.96 L3MBTL1 (0.68) L3MBTL1PTK2RAB9ANPC1TDP1
Ethyl Chloride SCHEMBL21273828 0.90 PTK2 (0.61) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL24654650 0.89 L3MBTL1 (0.78) L3MBTL1PTK2RAB9ANPC1TDP1
Lithium Ion SCHEMBL209868 0.84 L3MBTL1 (0.66) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL4124368 0.83 L3MBTL1 (0.75) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL10015596 0.82 PTK2 (0.74) L3MBTL1PTK2RAB9ANPC1TDP1
SCHEMBL2632202 0.82 L3MBTL1 (0.68) L3MBTL1PTK2RAB9ANPC1TDP1
Hydrochloric Acid SCHEMBL4953050 0.81 L3MBTL1 (0.66) L3MBTL1PTK2RAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20120053349-A1 OXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 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-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-23 US disclosed
EP-1925611-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-05-28 EP disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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 (6 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 L3MBTL1 1124/4885PTK2 627/4885RAB9A 4576/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL L3MBTL1 1698/4885PTK2 1038/4885RAB9A 1817/4885
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 L3MBTL1 985/4885PTK2 3650/4885RAB9A 3368/4885
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TFPI, F2, SERPINC1 L3MBTL1 4009/4885PTK2 3242/4885RAB9A 1740/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 L3MBTL1 1605/4885PTK2 3096/4885RAB9A 1678/4885
US-20120053349-A1 OXAMIDE DERIVATIVE SULT1E1, PKD2, PKD1 L3MBTL1 1882/4885PTK2 4564/4885RAB9A 3763/4885

“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.