SCHEMBL4407685

SCHEMBL4407685

O=C(O)c1ccc(C#Cc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
APP P05067 1/20 0.44
FFAR1 O14842 4/20 0.43
DAO P14920 4/20 0.42
HNF4A P41235 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 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
SCHEMBL22071237 0.88 DAO (0.52) RAB9AMEN1POLBKMT2ADAO
SCHEMBL7082765 0.86 L3MBTL1 (0.57) RAB9AAPPFFAR1KDM4EL3MBTL1
SCHEMBL17057395 0.77 DAO (0.43) RAB9AMEN1POLBKMT2ADAO
SCHEMBL3586108 0.77 KDM4E (0.53) RAB9AMEN1POLBKMT2AFFAR1
SCHEMBL11303711 0.77 ALDH1A1 (0.50) RAB9AHPGDKDM4ENPC1ALDH1A1
SCHEMBL23440050 0.76 APP (0.39) RAB9AMEN1KMT2AAPPFFAR1
SCHEMBL10688017 0.76 KDM4E (0.48) RAB9AMEN1POLBKMT2AHPGD
SCHEMBL16056864 0.74 DAO (0.42) RAB9AMEN1POLBKMT2ADAO
SCHEMBL3685351 0.74 MGLL (0.36) RAB9AFFAR1NPC1
SCHEMBL5162659 0.74 DAO (0.50) RAB9AMEN1POLBKMT2ADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-7317031-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 US disclosed
EP-1712550-A2 Substituted triazole diamine derivatives as kinase inhibitors Ortho-McNeil Pharmaceutical, Inc. (US) 2006-10-18 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20050182116-A1 Substituted triazole diamine derivatives as kinase inhibitors LIN RONGHUI (US) 2005-08-18 US disclosed
US-6924302-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2005-08-02 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO 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-20050182116-A1 Substituted triazole diamine derivatives as kinase inhibitors MAP2K2, PRKDC, MAP2K3 RAB9A 2239/4885MEN1 2738/4885POLB 1798/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 RAB9A 1607/4885MEN1 2733/4885POLB 3914/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 RAB9A 1607/4885MEN1 2733/4885POLB 3914/4885

“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.