SCHEMBL437417

SCHEMBL437417

CC(=O)N(C#N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 3/20 0.39
GLA P06280 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL28249141 0.98 ALDH1A1 (0.40) NPSR1ALDH1A1KMT2AMEN1GAA
SCHEMBL3239982 0.83 NPSR1 (0.44) NPSR1ALDH1A1KMT2AMEN1TSHR
SCHEMBL587583 0.81 HPGD (0.37) NPSR1ALDH1A1KMT2AMEN1GAA
SCHEMBL9442190 0.81 GAA (0.42) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL11173933 0.80 GAA (0.43) NPSR1ALDH1A1KMT2AMEN1GAA
SCHEMBL9206408 0.80 APP (0.38) KMT2A
SCHEMBL6279274 0.80 NPSR1 (0.35) NPSR1ALDH1A1KMT2AMEN1GAA
SCHEMBL2866274 0.79 NPSR1 (0.41) NPSR1ALDH1A1KMT2AMEN1TSHR
SCHEMBL3237294 0.79 NPSR1 (0.41) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL9134202 0.79 NPSR1 (0.41) NPSR1ALDH1A1KMT2AMEN1TSHR

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
CN-107580615-B Storage-stable impregnating resin and electrical insulating tape 西门子公司 2020-07-21 CN disclosed
CN-107580615-A Store stable impregnating resin and electrical insulation tape 西门子公司 2018-01-12 CN disclosed
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 WO disclosed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO disclosed
US-4873357-A Trifluoro acetyl-cyano-aniline intermediates for dopamine-βhydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1989-10-10 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 (2 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA NPSR1 2104/4885ALDH1A1 858/4885KMT2A 3245/4885
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L NPSR1 1171/4885ALDH1A1 565/4885KMT2A 4014/4885

“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.