SCHEMBL1504119

SCHEMBL1504119

O=C(O)C(=O)Nc1ccc(Br)cn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
RAB9A P51151 11/20 0.57
NPC1 O15118 8/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL208950 0.98 TSHR (0.59) TSHRRAB9ANPC1MEN1KMT2A
Lithium SCHEMBL208951 0.98 TSHR (0.59) TSHRRAB9ANPC1MEN1KMT2A
Lithium Ion SCHEMBL208696 0.86 RAB9A (0.54) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL1067851 0.85 TSHR (0.65) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL1503823 0.81 RAB9A (0.57) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL8104147 0.79 RAB9A (0.58) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL29883001 0.79 PTK2 (0.62) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL11728090 0.79 RAB9A (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL356367 0.79 PTK2 (0.62) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL27886032 0.79 TSHR (0.77) TSHRRAB9ANPC1MEN1KMT2A

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 51 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
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US 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
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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN 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
EP-1577302-A1 NOVEL ETHYLENEDIAMINE 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 (5 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-20050020645-A1 Diamine derivatives C9, C1S, C1R TSHR 516/4885RAB9A 3294/4885NPC1 3358/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R TSHR 516/4885RAB9A 3294/4885NPC1 3358/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R TSHR 516/4885RAB9A 3294/4885NPC1 3358/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 TSHR 1514/4885RAB9A 2734/4885NPC1 4535/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R TSHR 411/4885RAB9A 3496/4885NPC1 3454/4885

“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.