SCHEMBL328637

SCHEMBL328637

NC(=O)Cc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.64
GAA P10253 2/20 0.53
CTBP2 P56545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MAPK8 P45983 1/20 0.47

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 SCHEMBL5795470 0.98 CA2 (0.61) CA2GAACTBP2SMN1; SMN2LMNA
Bicarbonate SCHEMBL29794541 0.96 CA2 (0.59) CA2GAACTBP2SMN1; SMN2LMNA
SCHEMBL13106182 0.94 CA2 (0.57) CA2GAACTBP2SMN1; SMN2LMNA
SCHEMBL18798892 0.90 CA2 (0.53) CA2GAACTBP2SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL5657716 0.88 CA2 (0.52) CA2GAACTBP2SMN1; SMN2LMNA
SCHEMBL7563663 0.88 LTA4H (0.52) CA2KMT2A
SCHEMBL10925185 0.88 CA2 (0.52) CA2GAACTBP2SMN1; SMN2LMNA
SCHEMBL11290860 0.87 CA2 (0.80) CA2
SCHEMBL15672942 0.87 CA2 (0.50) CA2GAACTBP2SMN1; SMN2LMNA
SCHEMBL10431309 0.87 EGFR (0.54) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188928-B1 SUBSTITUTED 1 H-PYRROLO[3,2-B]PYRIDIN COMPOUNDS AND METHODS OF USE THEREOF BAYER AG (DE) 2024-07-24 EP claimed
WO-2024131893-A1 IRE1α SMALL MOLECULE INHIBITORS SHANGHAI YI ZHONG XING BIOTECHNOLOGY CO., LTD. (CN) 2024-06-27 WO claimed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 EP claimed
EP-3921317-B1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AG (DE) 2023-08-02 EP claimed
EP-4188551-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP claimed
EP-4188929-A1 SUBSTITUTED PYRROLO-PYRIDINONE DERIVATIVES AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 WO claimed
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN claimed
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN claimed
EP-3921317-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS Bayer Aktiengesellschaft (DE) 2021-12-15 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN claimed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US claimed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1142877-A1 2-OXOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2001-10-10 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-1079219-A Arylacetamide MERCK PATENT GMBH (DE) 1993-12-08 CN 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 (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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CA2 3038/4885GAA 1432/4885CTBP2 3507/4885

“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.