SCHEMBL5162572

SCHEMBL5162572

Cn1c(C(F)(F)F)cc(=O)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
EGFR P00533 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
PLA2G7 Q13093 1/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL23664492 0.83 RECQL (0.36) RECQLEGFRMEN1KMT2AALDH1A1
SCHEMBL24960586 0.80 KMT2A (0.36) KMT2A
SCHEMBL20870875 0.80 RECQL (0.32) RECQLEGFRALDH1A1LMNAGAA
SCHEMBL17083422 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL23635700 0.79 GAA (0.32) RECQLEGFRALDH1A1LMNAGAA
SCHEMBL23635720 0.79 EGFR (0.37) RECQLEGFRMEN1KMT2AALDH1A1
SCHEMBL21500471 0.79 ADORA2B (0.34) ALDH1A1PLA2G7
SCHEMBL21500523 0.79
SCHEMBL23635722 0.79 ALDH1A1 (0.53) EGFRMEN1KMT2AALDH1A1GAA
SCHEMBL20693127 0.77 ALDH1A1 (0.44) EGFRALDH1A1GAAMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO disclosed
EP-4177250-A1 PREPARATION METHOD FOR PHENYLISOXAZOLINE COMPOUND Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2023-05-10 EP disclosed
EP-3658551-B1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2022-01-19 EP disclosed
US-20210337797-A1 PREPARATION OF PYRIDAZINYL AMINE COMPOUND AND APPLICATION THEREOF Synwill Co., Ltd. (CN) 2021-11-04 US disclosed
EP-3858829-A1 METHOD FOR PREPARING ISOXAZOLINE-CONTAINING URACIL COMPOUND BY METHYLATION Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2021-08-04 EP disclosed
EP-3854791-A1 PREPARATION OF PYRIDAZINYL AMINE COMPOUND AND APPLICATION THEREOF Synwill Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2021143677-A1 FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2021-07-22 WO disclosed
WO-2021139498-A1 ISOXAZOLINE OXIME CARBOXYLATE COMPOUND, PREPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed
WO-2021139482-A1 CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 WO disclosed
US-7368413-B2 Herbicidal composition and method of using the same NIHON NOHYAKU CO., LTD. (JP) 2008-05-06 US disclosed
US-7368413-B2 Herbicidal composition and method of using the same NIHON NOHYAKU CO., LTD. (JP) 2008-05-06 US disclosed
US-7232926-B2 Method for the production of sulphamic acid halogenides BASF AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232926-B2 Method for the production of sulphamic acid halogenides BASF AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1743527-A2 herbicides based on substituted carboxylic acid anilides Bayer CropScience Aktiengesellschaft (DE) 2007-01-17 EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO 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-20210337797-A1 PREPARATION OF PYRIDAZINYL AMINE COMPOUND AND APPLICATION THEREOF ACHE, EML4, TOP2A RECQL 31/4885EGFR 362/4885MEN1 1758/4885

“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.