SCHEMBL324161

SCHEMBL324161

NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.59
PARP4 Q9UKK3 2/20 0.59
PARP15 Q460N3 2/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
PARP14 Q460N5 1/20 0.59
PARP16 Q8N5Y8 1/20 0.59
PARP11 Q9NR21 1/20 0.59
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
EPHX2 P34913 2/20 0.53
FAAH O00519 1/20 0.52
TRPV1 Q8NER1 2/20 0.51
MAOB P27338 1/20 0.50

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 SCHEMBL11888844 0.98 PARP10 (0.57) PARP10PARP4PARP15ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3785321 0.98 PARP10 (0.57) PARP10PARP4PARP15ALDH1A1KMT2A
SCHEMBL22740915 0.94 PARP10 (0.53) PARP10PARP4PARP15ALDH1A1KMT2A
SCHEMBL8297933 0.94 ABL1 (0.56) PARP10PARP4PARP15ALDH1A1KMT2A
SCHEMBL22721342 0.94 PARP10 (0.70) PARP10PARP4PARP15ALDH1A1KMT2A
SCHEMBL5453961 0.89 ABL1 (0.63) PARP10PARP4PARP15ALDH1A1KMT2A
SCHEMBL22721370 0.85 TRPV1 (0.76) KMT2AABL1EPHX2FAAHTRPV1
SCHEMBL22721364 0.85 PARP10 (0.76) PARP10PARP15PARP14MAOB
SCHEMBL9173852 0.84 PARP10 (0.55) PARP10PARP4PARP15ALDH1A1KMT2A
SCHEMBL5439038 0.84 SLC6A2 (0.47) PARP10PARP4PARP15ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 EP claimed
CN-115947715-B 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2024-01-19 CN claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
CN-112286016-A Single-layer electropositive organic photosensitive drum and preparation method thereof 广东乐普泰新材料科技有限公司 2021-01-29 CN claimed
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP claimed
CN-105658625-B Indole amide compounds as inhibitors of cellular necrosis 株式会社LG化学 2019-05-03 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-105228982-B 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders 拜耳制药股份公司 2018-03-27 CN claimed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP claimed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
JP-2002501024-A 2002-01-15 JP 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
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 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
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO claimed
US-3935258-A FROM A BENZAMIDE, HYPOHALITE, AMINE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 PARP10 650/4885PARP4 811/4885PARP15 399/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 PARP10 483/4885PARP4 640/4885PARP15 282/4885

“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.