SCHEMBL1504253

SCHEMBL1504253

COC(=O)C(=O)Nc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
PKM P14618 1/20 0.67
KDM4E B2RXH2 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 1/20 0.59
HIF1A Q16665 1/20 0.56
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
AHR P35869 1/20 0.55
NAMPT P43490 2/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL30504811 0.85 RAB9A (0.89) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL2414088 0.84 NPC1 (0.59) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL30352289 0.82 KDM4E (0.62) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL9262080 0.82 RAB9A (0.71) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL1070561 0.82 KDM4E (0.62) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL15131707 0.82 RAB9A (0.66) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL6877095 0.82 RAB9A (0.65) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL6630167 0.80 RAB9A (0.79) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL12828408 0.79 RAB9A (0.67) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL6989004 0.79 RAB9A (0.71) RAB9ANPC1PKMKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939973-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE Alkermes, Inc. (US) 2022-01-19 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 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
CN-1751025-B Diamine derivatives DAIICHI SEIYAKU CO 2010-05-12 CN 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-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 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
US-5416218-A Photographic silver halide material E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-16 US disclosed
EP-0444506-B1 Silver halide photographic materials containing arylhydrazides DU PONT DEUTSCHLAND (DE) 1994-10-26 EP disclosed
US-5190847-A Ultrahigh Contrast E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-02 US disclosed
EP-0444506-A1 Silver halide photographic materials containing arylhydrazides DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1991-09-04 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 (8 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 RAB9A 2734/4885NPC1 4535/4885PKM 2825/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL RAB9A 1817/4885NPC1 3353/4885PKM 1611/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885NPC1 3358/4885PKM 4558/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885NPC1 3358/4885PKM 4558/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R RAB9A 3393/4885NPC1 3819/4885PKM 4487/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885NPC1 3358/4885PKM 4558/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 RAB9A 2734/4885NPC1 4535/4885PKM 2825/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R RAB9A 3496/4885NPC1 3454/4885PKM 4584/4885

“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.