SCHEMBL3308221

SCHEMBL3308221

COC(=O)C(=O)Nc1ccc(C)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.77
MAPT P10636 3/20 0.77
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 12/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
MITF O75030 1/20 0.51
PKM P14618 2/20 0.50
GLA P06280 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL10046419 0.85 RAB9A (0.70) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL21678139 0.84 RAB9A (0.72) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL17320977 0.83 RAB9A (0.57) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL2056409 0.82 RAB9A (0.70) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL13394455 0.82 RAB9A (0.82) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL1503835 0.81 PTK2 (0.65) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL30481206 0.81 PTK2 (0.65) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL1503823 0.81 RAB9A (0.57) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL208476 0.81 GRM5 (0.51) RAB9AMAPTKMT2AKDM4ENPC1
SCHEMBL22728202 0.81 RAB9A (0.79) RAB9AMAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024009206-A1 A PROCESS FOR THE PREPARATION OF EDOXABAN AND ITS INTERMEDIATES AMI LIFESCIENCES PRIVATE LIMITED (IN) 2024-01-11 WO disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 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-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-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 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-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 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
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN 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 (3 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL RAB9A 1817/4885MAPT 1834/4885KMT2A 2546/4885
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 3368/4885MAPT 4451/4885KMT2A 3495/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 RAB9A 1678/4885MAPT 4007/4885KMT2A 3693/4885

“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.