SCHEMBL407367

SCHEMBL407367

[C-]#[N+]Cc1cccc(C[N+]#[C-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SLC11A2 P49281 1/20 0.32
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 2/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL29951478 0.84 TAAR1 (0.50) CYP1A2TAAR1SIGMAR1CYP2D6MAOB
SCHEMBL29956498 0.84 TAAR1 (0.50) DHFRMEN1KMT2ATAAR1CYP2D6
SCHEMBL5452057 0.84 TAAR1 (0.50) MEN1KMT2ATAAR1SLC6A4SLC6A3
SCHEMBL29953051 0.84 PNMT (0.54) TAAR1SIGMAR1PNMT
SCHEMBL2992299 0.84 PNMT (0.54) TAAR1SIGMAR1PNMT
SCHEMBL1550703 0.84 TAAR1 (0.50) CYP1A2TAAR1SIGMAR1CYP2D6MAOB
SCHEMBL29951474 0.84 TAAR1 (0.50) MEN1KMT2ATAAR1SLC6A4SLC6A3
SCHEMBL13015764 0.83 ENPP2 (0.49) DHFRMEN1KMT2ACYP1A1CYP1A2
SCHEMBL168131 0.80
SCHEMBL29954868 0.79 HTR2A (0.56) MEN1KMT2AGRIN2BTAAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674128-B2 Conductive organometallic framework THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US claimed
US-20120017668-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-26 US claimed
EP-2382043-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK The Regents of the University of California (US) 2011-11-02 EP claimed
WO-2010083418-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-22 WO claimed
US-4169030-A PRODUCTION OF HYDROGEN FUEL BY SOLAR PHOTOLYSIS OF WATER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1979-09-25 US claimed
CN-117396530-A Polymerization of silane-modified polymers produced by free-radical chain polymerization in polyols or prepolymers having terminal isocyanate groups and their use in polyurethane formulations 福漫有限责任两合公司 2024-01-12 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-110382512-B Method for producing transition metal-isonitrile complex 国立大学法人九州大学 2022-09-16 CN disclosed
US-8674128-B2 Conductive organometallic framework THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US disclosed
US-20120017668-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-26 US disclosed
EP-2382043-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK The Regents of the University of California (US) 2011-11-02 EP disclosed
WO-2010083418-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-22 WO disclosed
EP-1316819-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2005-11-23 EP disclosed
US-20040026658-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2004-02-12 US disclosed
EP-1316819-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-04 EP disclosed
US-4169030-A PRODUCTION OF HYDROGEN FUEL BY SOLAR PHOTOLYSIS OF WATER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1979-09-25 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 (1 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-20120017668-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK IDH2, DBF4, HCN4 DHFR 2865/4885MEN1 991/4885KMT2A 1813/4885

“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.