SCHEMBL2490695

SCHEMBL2490695

COC(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.61
LOXL2 Q9Y4K0 1/20 0.61
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.57
TP53 P04637 1/20 0.55
PLAU P00749 1/20 0.55
PLAT P00750 1/20 0.55
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL29864637 1.00 PARP1 (0.61) PARP1LOXL2ALDH1A1TSHRTP53
Hydrochloric Acid SCHEMBL29016784 0.98 PARP1 (0.59) PARP1LOXL2ALDH1A1TSHRTP53
SCHEMBL6985723 0.93 KDM4E (0.57) PARP1LOXL2ALDH1A1TSHRTP53
Benzoic Acid SCHEMBL29137650 0.91 TSHR (0.58) PARP1LOXL2ALDH1A1TSHRTP53
SCHEMBL34953 0.89 TSHR (0.70) LOXL2ALDH1A1TSHRTP53CYP4F2
SCHEMBL9943503 0.87 TSHR (0.67) LOXL2ALDH1A1TSHRTP53CYP4F2
Potassium SCHEMBL30190417 0.87 TSHR (0.67) LOXL2ALDH1A1TSHRTP53CYP4F2
SCHEMBL10941453 0.87 TSHR (0.67) LOXL2ALDH1A1TSHRTP53CYP4F2
Methyl Alcohol SCHEMBL28469619 0.87 TSHR (0.67) LOXL2ALDH1A1TSHRTP53CYP4F2
SCHEMBL8054504 0.87 TSHR (0.67) LOXL2ALDH1A1TSHRTP53CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 EP claimed
US-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER CORPSCIENCE AG (DE) 2010-07-01 US claimed
WO-2010069494-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO claimed
EP-2198710-A1 Use of 5-pyridin-4yl-(1,3) thiazoles for combating phytopathogenic fungi Bayer CropScience AG (DE) 2010-06-23 EP claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-118026948-A Tri-aromatic ring compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-05-14 CN disclosed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
US-4160095-A PROSTAGLANDINS; ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-07-03 US disclosed
US-4157441-A PROSTAGLANDINS, ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-06-05 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 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 (1 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-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi PIR, PNPO, PDXK PARP1 3579/4885LOXL2 870/4885ALDH1A1 2137/4885

“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.