SCHEMBL2203201

SCHEMBL2203201

NCc1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.59
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
NPC1 O15118 1/20 0.50
NOS1 P29475 4/20 0.48
NOS2 P35228 4/20 0.48
NOS3 P29474 3/20 0.48
HRH3 Q9Y5N1 1/20 0.46
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TRPA1 O75762 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL2203205 1.00 LOXL2 (0.59) LOXL2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2202977 0.90 NOS3 (0.56) LOXL2MEN1KMT2AMAPTTAAR1
SCHEMBL2202972 0.90 NOS3 (0.56) LOXL2MEN1KMT2AMAPTTAAR1
Carbamic Acid SCHEMBL27880056 0.90 TRPA1 (0.52) LOXL2ALDH1A1MEN1KMT2AMAPT
SCHEMBL13278246 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL13278248 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTPKM
Azobenzene SCHEMBL29261066 0.79 ALDH1A1 (0.71) LOXL2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2239365 0.79 ALDH1A1 (0.92) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL9418780 0.79 ALDH1A1 (0.92) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL21023910 0.79 ALDH1A1 (0.92) ALDH1A1MEN1KMT2AMAPTPKM

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
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2021-11-02 US disclosed
US-20200390901-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND - PHOSPHONATES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2020-12-17 US disclosed
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2019-10-31 US disclosed
WO-2018041985-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2018-03-08 WO disclosed
US-7981968-B2 Photoresponsive polymer, built-up type diacetylene polymer, crystal of ammonium carboxylate, and method of manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-19 US disclosed
US-7750084-B2 Photoresponsive polymer, built-up type diacetylene polymer, crystal of ammonium carboxylate, and method for manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-07-06 US disclosed
US-20090253870-A1 Photoresponsive polymer,built-up type diacetylene polymer, crystal of ammonium carboxylate, and method of manufacturing them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-10-08 US disclosed
EP-1431266-B1 PHOTORESPONSIVE POLYMER, BUILT-UP TYPE DIACETYLENE POLYMER, CRYSTALS OF AMMONIUM CARBOXYLATES, AND PROCESSES FOR PRODUCTION OF THEM JAPAN SCIENCE & TECH AGENCY (JP) 2006-07-19 EP disclosed
US-20050038284-A1 Photoresponsive polymer, built-up type diacetylene polymer, crystals of ammonium carboxylates, and processes for production of them JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-02-17 US disclosed
EP-1431266-A1 PHOTORESPONSIVE POLYMER, BUILT-UP TYPE DIACETYLENE POLYMER, CRYSTALS OF AMMONIUM CARBOXYLATES, AND PROCESSES FOR PRODUCTION OF THEM Japan Science and Technology Agency (JP) 2004-06-23 EP 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 (4 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-20050038284-A1 Photoresponsive polymer, built-up type diacetylene polymer, crystals of ammonium carboxylates, and processes for production of them MUC1, DNAH12, ACMSD LOXL2 3565/4885ALDH1A1 929/4885MEN1 2860/4885
US-20200390901-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND - PHOSPHONATES ACP1, PTMS, ALG1 LOXL2 4179/4885ALDH1A1 3247/4885MEN1 2836/4885
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PHOSPHO1, PFAS, PNKP LOXL2 3967/4885ALDH1A1 95/4885MEN1 3278/4885
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates TST, PHOSPHO1, TMT1A LOXL2 4640/4885ALDH1A1 662/4885MEN1 2775/4885

“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.