SCHEMBL209522

SCHEMBL209522

Nc1ccc(-c2nn[c]o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.54
NPC1 O15118 11/20 0.54
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.46
HSD17B10 Q99714 6/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
GLA P06280 2/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 5/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ACHE P22303 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7223282 0.79 NPC1 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL344372 0.79 NPC1 (0.46) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL2360245 0.75 NPC1 (0.50) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL8633196 0.72 MAPT (0.49) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3620750 0.71 NOTUM (0.48) MEN1KMT2ASMN1; SMN2ACHEBCHE
SCHEMBL601473 0.70 NPC1 (1.00) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8626847 0.66 RAB9A (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL368913 0.64 NOTUM (0.64) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8650657 0.64 RAB9A (1.00) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL221481 0.62 NPC1 (0.72) RAB9ANPC1MEN1KMT2AALDH1A1

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 22 patents — showing the first 20. 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
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US 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-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
EP-1925611-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-05-28 EP 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
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S RAB9A 3871/4885NPC1 3135/4885MEN1 531/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 RAB9A 2734/4885NPC1 4535/4885MEN1 1094/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 RAB9A 4576/4885NPC1 3007/4885MEN1 961/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL RAB9A 1817/4885NPC1 3353/4885MEN1 322/4885
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 RAB9A 3368/4885NPC1 3879/4885MEN1 726/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885NPC1 3358/4885MEN1 457/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R RAB9A 3294/4885NPC1 3358/4885MEN1 457/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R RAB9A 3393/4885NPC1 3819/4885MEN1 507/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 RAB9A 1678/4885NPC1 3934/4885MEN1 989/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885NPC1 3358/4885MEN1 457/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 RAB9A 2734/4885NPC1 4535/4885MEN1 1094/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R RAB9A 3496/4885NPC1 3454/4885MEN1 602/4885

“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.