SCHEMBL853731

SCHEMBL853731

C#Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
CYP2A6 P11509 2/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.46
MMP3 P08254 1/20 0.46
ENPP2 Q13822 1/20 0.46
HDAC8 Q9BY41 3/20 0.46
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
CA1 P00915 2/20 0.42
CA4 P22748 1/20 0.42
KIF11 P52732 1/20 0.41

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
SCHEMBL5570999 0.92 MMP3 (0.58) CA2CYP2A6CA12CA9CA14
SCHEMBL5548328 0.92 MMP3 (0.58) CA2CYP2A6CA12CA9CA14
Water SCHEMBL28189314 0.83 CA2 (0.69) CA2CYP2A6CA12CA9CA14
Water SCHEMBL28254092 0.83 CA2 (0.69) CA2CYP2A6CA12CA9CA14
SCHEMBL45942 0.83 CA2 (0.69) CA2CYP2A6CA12CA9CA14
SCHEMBL2503454 0.83 CA2 (0.69) CA2CYP2A6CA12CA9CA14
SCHEMBL28871 0.83 HDAC8 (0.59) CA2CA12CA9CA14HDAC8
SCHEMBL13403832 0.82 CA2 (0.55) CA2CA12CA9CA14ALDH1A1
SCHEMBL2304245 0.82 ALDH1A1 (0.46) CA2CYP2A6CA12CA9CA14
SCHEMBL28829194 0.79 CA2 (0.65) CA2CYP2A6CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606310-B Heterogeneous catalyst for catalyzing alkyne and B2Pin2Application in borohydride reaction 昆明理工大学 2025-05-23 CN claimed
CN-114878542-B Be used for simultaneously detecting intracellular Cu of mitochondria+And Cu2+Surface-enhanced Raman spectrum probe of (2), preparation and application thereof 华东师范大学 2025-02-11 CN claimed
CN-119285450-A Preparation method of 1-hydroxy-2-naphthaldehyde derivative 西北工业大学 2025-01-10 CN claimed
CN-116237081-B Wrapped Pd-Ni bimetallic catalyst, catalyst preparation method and application 东南大学 2025-01-10 CN claimed
CN-119119401-A Porous crystalline quinoline-based organic framework photocatalytic material and preparation method and application thereof 海南大学 2024-12-13 CN claimed
CN-118724712-A Preparation method of organic bromine-containing compound 郑州大学 2024-10-01 CN claimed
CN-118479973-A Preparation method of 1-naphthylamine compound 西北工业大学 2024-08-13 CN claimed
CN-118388325-A Preparation method of 1-naphthol compound 西北工业大学 2024-07-26 CN claimed
CN-117964614-A 2,4,6 Substituted quinoline derivative and application thereof 三峡大学 2024-05-03 CN claimed
CN-117843953-A Crystalline covalent triazine polymer material and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-04-09 CN claimed
US-20130122599-A1 Fragmentation Reagents For Mass Spectrometry MICROMASS UK LIMITED (GB) 2013-05-16 US claimed
WO-2012149644-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2012-11-08 WO claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
US-20070004723-A1 Heterocyclic compounds having an oxadiazole moiety and hydro isomers thereof MIDCAP FINANCIAL TRUST 2007-01-04 US claimed
CN-1869027-A Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles UNIV NORTH CAROLINA (US) 2006-11-29 CN claimed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 US claimed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 EP claimed
WO-2005082898-A1 HETEROCYCLIC COMPOUNDS HAVING AN OXADIAZOLE MOIETY AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2005-09-09 WO claimed
EP-0524865-B1 Organic material with polymeric chain especially for nonlinear optic, organic monomers intermediates in its preparation, and process for their preparation ALSTHOM CGE ALCATEL (FR) 1998-04-08 EP claimed
EP-0524865-A2 Organic material with polymeric chain especially for nonlinear optic, organic monomers intermediates in its preparation, and process for their preparation ALCATEL N.V. (NL) 1993-01-27 EP claimed

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-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles PFAS, DHPS, DDO CA2 1930/4885CYP2A6 2118/4885CA12 3951/4885
US-20070004723-A1 Heterocyclic compounds having an oxadiazole moiety and hydro isomers thereof HAVCR2, PCNA, HCCS CA2 4551/4885CYP2A6 863/4885CA12 4691/4885

“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.