SCHEMBL96962

SCHEMBL96962

O=COCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.52
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
IDO1 P14902 1/20 0.47
FFAR1 O14842 1/20 0.46
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL97332 1.00 SIGMAR1 (0.52) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL2517 0.98 SIGMAR1 (0.48) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL5547690 0.95 TDP1 (0.49) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL2961385 0.95 TDP1 (0.49) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL96791 0.95 TDP1 (0.49) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL5546766 0.95 TDP1 (0.49) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL5537354 0.95 TDP1 (0.49) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL5544777 0.95 TDP1 (0.49) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL5545719 0.95 TDP1 (0.49) SIGMAR1MAPTRXFP1IDO1FFAR1
SCHEMBL5543105 0.95 TDP1 (0.49) SIGMAR1MAPTRXFP1IDO1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024075815-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF 国立大学法人大阪大学 2024-04-11 WO disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
WO-2016194390-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF CANCER R-TECH UENO, LTD. (JP) 2016-12-08 WO disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN disclosed
EP-2650287-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
US-4539151-A Benzothiazepine derivatives and their method of preparation MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-03 US disclosed
US-4539150-A HYPOTENSIVE AGENTS, SULFIDING, CYCLIZATION MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-03 US disclosed
US-4420624-A ANTIBIOTICS THE UPJOHN COMPANY (US) 1983-12-13 US disclosed
US-4361701-A SPECTINOMYCIN ANTIBIOTICS THE UPJOHN COMPANY (US) 1982-11-30 US disclosed
US-4351771-A Spectinomycin analogs and methods for the preparation thereof THE UPJOHN COMPANY (US) 1982-09-28 US disclosed
US-4345086-A ETHERIFICATION, CYCLIZATION, SULFIDING THE UPJOHN COMPANY (US) 1982-08-17 US disclosed
US-4344882-A Intermediate compounds in the preparation of spectinomycin THE UPJOHN COMPANY (US) 1982-08-17 US disclosed
US-4337347-A ANTIBIOTICS THE UPJOHN COMPANY (US) 1982-06-29 US disclosed
US-4282152-A Intermediates for preparing spectinomycin and analogs thereof THE UPJOHN COMPANY (US) 1981-08-04 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 SIGMAR1 4091/4885MAPT 2196/4885RXFP1 2555/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SIGMAR1 4091/4885MAPT 2196/4885RXFP1 2555/4885

“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.