SCHEMBL993942

SCHEMBL993942

NCc1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
LOXL2 Q9Y4K0 7/20 0.41
HRH3 Q9Y5N1 1/20 0.39
ABAT P80404 1/20 0.37
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
MAOB P27338 1/20 0.35
ADORA2A P29274 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADRB2 P07550 1/20 0.34
LOX P28300 1/20 0.34
GABRB2 P47870 2/20 0.34

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
Hydrochloric Acid SCHEMBL993872 0.98 KIF11 (0.44) KIF11LOXL2HRH3ABATGABRA1
SCHEMBL2528314 0.82 GABRA1 (0.41) KIF11LOXL2GABRA1GABRG2GABRB3
SCHEMBL2535263 0.82 KIF11 (0.42) KIF11GABRA1GABRG2GABRB3ADORA2A
SCHEMBL993831 0.80 KIF11 (0.41) KIF11GABRA1GABRG2GABRB3ADORA2A
SCHEMBL18969110 0.80 KIF11 (0.41) KIF11GABRA1GABRG2GABRB3TAAR1
SCHEMBL992639 0.80 GABRA1 (0.47) KIF11GABRA1GABRG2GABRB3ADORA2A
SCHEMBL31751418 0.78 KIF11 (0.41) KIF11GABRA1GABRG2GABRB3ADORA2A
SCHEMBL17600537 0.78 KIF11 (0.41) KIF11GABRA1GABRG2GABRB3ADORA2A
SCHEMBL18969775 0.77 KIF11 (0.40) KIF11GABRA1GABRG2GABRB3GABRB2
SCHEMBL15892710 0.77 ESR1 (0.44) KIF11GABRA1GABRG2GABRB3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519385-A2 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION (US) 2025-03-12 EP disclosed
US-20240336599-A1 PHOTOSENSITIVE POLYAMIC ACID AND DIAZIRINE COMPOSITIONS PROMERUS, LLC (US) 2024-10-10 US disclosed
US-20240191211-A1 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION 2024-06-13 US disclosed
WO-2023215514-A2 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION (US) 2023-11-09 WO disclosed
WO-2023215514-A2 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION (US) 2023-11-09 WO disclosed
US-20220298399-A1 SYNTHESIS AND USE OF MULTI-FUNCTIONAL DIAZIRINE ADHESIVES FOR ELASTOMER BONDING META PLATFORMS TECHNOLOGIES, LLC 2022-09-22 US disclosed
EP-4059937-A1 SYNTHESIS AND USE OF MULTI-FUNCTIONAL DIAZIRINE ADHESIVES FOR ELASTOMER BONDING Facebook Technologies, LLC (US) 2022-09-21 EP disclosed
US-20160318887-A1 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2016-11-03 US disclosed
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSTÄT WIEN (AT) 2015-05-21 US disclosed
EP-2861561-A2 AMIDOPHENOXYPROPANOLAMINES Medizinische Universität Wien (AT) 2015-04-22 EP disclosed
US-8933065-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-01-13 US disclosed
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-20 US disclosed
EP-2262764-B1 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS UNIV NORTH CAROLINA (US) 2014-11-12 EP disclosed
US-8829033-B2 N-benzylamide substituted derivatives of 2-(acylamido)acetic acid and 2-(acylamido)propionic acids: potent neurological agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-09 US disclosed
WO-2013186153-A2 AMIDOPHENOXYPROPANOLAMINES MEDIZINISCHE UNIVERSITÄT WIEN (AT) 2013-12-19 WO disclosed
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-13 US disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 US disclosed
EP-2262764-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS The University of North Carolina At Chapel Hill (US) 2010-12-22 EP disclosed
WO-2009145816-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-12-03 WO 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 (6 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-20240336599-A1 PHOTOSENSITIVE POLYAMIC ACID AND DIAZIRINE COMPOSITIONS PUF60, FTO, PARN KIF11 2032/4885LOXL2 3508/4885HRH3 4392/4885
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 KIF11 2086/4885LOXL2 3327/4885HRH3 1137/4885
US-20140342989-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH KIF11 1903/4885LOXL2 3291/4885HRH3 1065/4885
US-20160318887-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT KIF11 3643/4885LOXL2 4392/4885HRH3 2/4885
US-20150141437-A1 AMIDOPHENOXYPROPANOLAMINES ADH5, HRH3, PNMT KIF11 3643/4885LOXL2 4392/4885HRH3 2/4885
US-20120232015-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, APEH KIF11 1880/4885LOXL2 3234/4885HRH3 1055/4885

“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.