SCHEMBL5371696

SCHEMBL5371696

CC(=O)c1ccc([N+]#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HSD17B1 P14061 1/20 0.46
MAPK1 P28482 2/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL11479272 0.92 MAPT (0.45) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL50646 0.79 MAPT (0.68) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL109690 0.78 TSHR (0.60) SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL741554 0.76 TSHR (0.57) SMN1; SMN2ALDH1A1
SCHEMBL838030 0.76 MAPT (0.48) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL6260247 0.76 PARP10 (0.48) MAPTL3MBTL1KMT2ANOS1ALDH1A1
SCHEMBL27691665 0.76 CA1 (0.57) MAPTHPGDRAB9AL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL10981830 0.74 PARP10 (0.46) MAPTL3MBTL1KMT2ANOS1ALDH1A1
Hydrochloric Acid SCHEMBL5400350 0.74 PARP10 (0.46) MAPTL3MBTL1KMT2ANOS1ALDH1A1
Benzene SCHEMBL5533098 0.73 MAPT (0.75) MAPTHPGDRAB9ALMNAL3MBTL1

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-7229668-B2 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-06-12 US claimed
CN-113024430-A Process for converting substituted arylamines to arylazomethylsulfones 天津师范大学 2021-06-25 CN disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
CN-101426589-A By selective chemical modification carbon nanotube coating is formed pattern ELKOS INC (US) 2009-05-06 CN disclosed
US-7229668-B2 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-06-12 US disclosed
EP-1750859-A2 PATTERNING CARBON NANOTUBE COATINGS BY SELECTIVE CHEMICAL MODIFICATION Elkos, Inc. (US) 2007-02-14 EP disclosed
WO-2006078286-A2 PATTERNING CARBON NANOTUBE COATINGS BY SELECTIVE CHEMICAL MODIFICATION EIKOS, INC. (US) 2006-07-27 WO disclosed
US-20060057290-A1 Patterning carbon nanotube coatings by selective chemical modification EIKOS, INC. 2006-03-16 US disclosed
US-20020144912-A1 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2002-10-10 US disclosed
US-6435240-B1 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-08-20 US disclosed
EP-0970265-B1 METHOD FOR PRODUCING BY ELECTROCHEMICAL PROCESS A CARBON-CONTAINING MATERIAL WITH ITS SURFACE MODIFIED BY ORGANIC GROUPS, USE OF THE MODIFIED MATERIAL CENTRE NAT RECH SCIENT (FR) 2002-07-03 EP disclosed
EP-0970265-A1 METHOD FOR PRODUCING BY ELECTROCHEMICAL PROCESS A CARBON-CONTAINING MATERIAL WITH ITS SURFACE MODIFIED BY ORGANIC GROUPS, USE OF THE MODIFIED MATERIAL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-01-12 EP disclosed
WO-1998044172-A1 METHOD FOR PRODUCING BY ELECTROCHEMICAL PROCESS A CARBON-CONTAINING MATERIAL WITH ITS SURFACE MODIFIED BY ORGANIC GROUPS, USE OF THE MODIFIED MATERIAL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 1998-10-08 WO disclosed
US-4073781-A Method of production of azo dyes from a quinone containing compound and a diazonium compound FUJI PHOTO FILM CO., LTD. (JA) 1978-02-14 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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH MAPT 1928/4885HPGD 3338/4885RAB9A 2053/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH MAPT 1928/4885HPGD 3338/4885RAB9A 2053/4885

“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.