SCHEMBL819558

SCHEMBL819558

N#CC1=C(C#N)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPT P10636 2/20 0.35
BPTF Q12830 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 2/20 0.30
NSD2 O96028 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12874856 0.96 ALOX15 (0.41) LMNAALOX15MAPTBPTFKMT2A
SCHEMBL819349 0.96 ALOX15 (0.41) LMNAALOX15MAPTBPTFKMT2A
SCHEMBL12361763 0.96 ALOX15 (0.41) LMNAALOX15MAPTBPTFKMT2A
SCHEMBL12827845 0.96 ALOX15 (0.41) LMNAALOX15MAPTBPTFKMT2A
SCHEMBL819464 0.92
SCHEMBL23291839 0.78
SCHEMBL7213132 0.78
SCHEMBL19305057 0.78
SCHEMBL1621735 0.78
SCHEMBL3665210 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
EP-1246794-A4 PROCESS AND INTERMEDIATES FOR PREPARING A CYCLOHEXYLNITRILE SMITHKLINE BEECHAM CORP (US) 2005-10-05 EP claimed
US-20050137416-A1 Process and intermediates for preparing a cyclohexylnitrile SMITHKLINE BEECHAM CORPORATION 2005-06-23 US claimed
US-20030050497-A1 Process and intermediates for preparing a cyclohexylnitrile SMITHKLINE BEECHAM CORPORATION 2003-03-13 US claimed
EP-1246794-A1 PROCESS AND INTERMEDIATES FOR PREPARING A CYCLOHEXYLNITRILE SmithKline Beecham Corporation (US) 2002-10-09 EP claimed
WO-2001051455-A1 PROCESS AND INTERMEDIATES FOR PREPARING A CYCLOHEXYLNITRILE SMITHKLINE BEECHAM CORPORATION (US) 2001-07-19 WO claimed
US-4126577-A COMPOUND OF VANADIUM OR NIOBIUM COMPLEXED WITH NITRIC OXIDE AND A SELECTED COMPLEXING AGENT PHILLIPS PETROLEUM COMPANY (US) 1978-11-21 US claimed
JP-52141839-A None JP disclosed
US-10081688-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2018-09-25 US disclosed
US-20170002112-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-05 US disclosed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP disclosed
US-9447213-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2016-09-20 US disclosed
US-20140275403-A1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2014-09-18 US disclosed
US-20030194646-A1 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2003-10-16 US disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
US-4146552-A Dehydrogenation of cis-1,2-dicyanocycloalkane PHILLIPS PETROLEUM COMPANY (US) 1979-03-27 US disclosed
US-4126577-A COMPOUND OF VANADIUM OR NIOBIUM COMPLEXED WITH NITRIC OXIDE AND A SELECTED COMPLEXING AGENT PHILLIPS PETROLEUM COMPANY (US) 1978-11-21 US disclosed
JP-S52141839-A PREPARATION OF ROYAL PURPLE COMPOUND TOYO INK MFG CO LTD 1977-11-26 JP 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-20050137416-A1 Process and intermediates for preparing a cyclohexylnitrile HPD, PCCA, MCCC2 LMNA 522/4885ALOX15 2668/4885MAPT 4400/4885
US-20030050497-A1 Process and intermediates for preparing a cyclohexylnitrile HPD, PCCA, MCCC2 LMNA 582/4885ALOX15 2486/4885MAPT 4425/4885

“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.