SCHEMBL366053

SCHEMBL366053

Cc1ccc(Cl)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.48
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SLC22A12 Q96S37 3/20 0.43
TRPV4 Q9HBA0 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRB2 P47870 1/20 0.42
CYP2A6 P11509 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.39
TSHR P16473 1/20 0.38
AR P10275 2/20 0.38
GRM4 Q14833 1/20 0.37
PGK1 P00558 1/20 0.37

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
SCHEMBL19187208 0.84 AR (0.53) VCAM1ALDH1A1KDM4EGAAHPGD
SCHEMBL410587 0.82 TRPV4 (0.57) ALDH1A1KDM4EGAAHPGDSLC22A12
SCHEMBL1003862 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ECYP2A6MAOAMAOB
SCHEMBL12872214 0.77 PTGDR2 (0.39) ALDH1A1KDM4EGAAHPGDGABRA1
SCHEMBL16960475 0.77 PTGDR2 (0.36) ALDH1A1KDM4EGAAHPGDGABRA1
SCHEMBL30509593 0.76 TSHR (0.52) ALDH1A1HPGDCYP2A6TSHRAR
SCHEMBL101714 0.76 TSHR (0.52) ALDH1A1HPGDCYP2A6TSHRAR
SCHEMBL3478696 0.76 GRM2 (0.48) ALDH1A1CYP2A6MAOAMAOBTSHR
SCHEMBL104941 0.76 VCAM1 (0.52) VCAM1ALDH1A1KDM4ESLC22A12TRPV4
SCHEMBL17268321 0.75 GRM2 (0.45) ALDH1A1KDM4EGAAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
EP-4180438-A1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS Cancer Targeted Technology LLC (US) 2023-05-17 EP disclosed
EP-4174057-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDE COMPRISING SAID COMPOUND, AND METHOD FOR USING SAID INSECTICIDE Nihon Nohyaku Co., Ltd. (JP) 2023-05-03 EP disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230008433-A1 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. 2023-01-12 US disclosed
EP-3560937-B1 METHODS OF PREPARING 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS AND DIAGNOSTIC METHODS THEREWITH CANCER TARGETED TECH LLC (US) 2022-12-28 EP disclosed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
EP-0151528-B1 5-(AMINO OR SUBSTITUTED AMINO)-1,2,3-TRIAZOLES MERCK & CO. INC. (US) 1990-07-04 EP disclosed
US-4816469-A 5-Amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1989-03-28 US disclosed
EP-0080104-B1 3-(4-PIPERIDYL)-1,2-BENZISOXAZOLES, PROCESS FOR THE PREPARATION THEREOF, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-12-14 EP disclosed
US-4721791-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1988-01-26 US disclosed
US-4528376-A 3-(4-Piperidyl)-1,2-benzisoxazoles HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-07-09 US disclosed
US-4469869-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1984-09-04 US disclosed
US-4408054-A ANALGESTICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US disclosed
US-4408053-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US disclosed
EP-0080104-A2 3-(4-Piperidyl)-1,2-benzisoxazoles, process for the preparation thereof, and a pharmaceutical composition comprising the same HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-01 EP disclosed
US-4355037-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1982-10-19 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 (5 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 VCAM1 319/4885ALDH1A1 1943/4885KDM4E 916/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC VCAM1 4786/4885ALDH1A1 188/4885KDM4E 782/4885
US-20230008433-A1 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP VCAM1 2742/4885ALDH1A1 4157/4885KDM4E 3087/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 VCAM1 1462/4885ALDH1A1 557/4885KDM4E 330/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP VCAM1 2902/4885ALDH1A1 2002/4885KDM4E 358/4885

“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.