SCHEMBL561915

SCHEMBL561915

O/N=C(\Cl)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PTPN1 P18031 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
TRPA1 O75762 1/20 0.36
LTA4H P09960 1/20 0.35
CTBP2 P56545 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34

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
SCHEMBL1880160 1.00 CES2 (0.44) CES2CES1CA1CA2BCL2L1
SCHEMBL561916 1.00 CES2 (0.44) CES2CES1CA1CA2BCL2L1
SCHEMBL11814265 0.87 ALDH1A1 (0.33) SMN1; SMN2LMNA
SCHEMBL12377007 0.82 CES2 (0.46) CES2CES1CA1CA2BCL2L1
SCHEMBL2284499 0.82 CES2 (0.46) CES2CES1CA1CA2BCL2L1
SCHEMBL2284506 0.82 CES2 (0.46) CES2CES1CA1CA2BCL2L1
SCHEMBL191842 0.78 CES2 (0.42) CES2CES1CA1CA2BCL2L1
SCHEMBL191841 0.78 CES2 (0.42) CES2CES1CA1CA2BCL2L1
SCHEMBL4039683 0.77 TSHR (0.50) CES2CES1CA1CA2ESR1
SCHEMBL10045039 0.77 MEN1 (0.50) CA1CA2ESR1ESR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS DRAIG THERAPEUTICS LTD (GB) 2024-12-26 US disclosed
US-20240376089-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-11-14 US disclosed
EP-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
CN-115298183-A Compounds as casein kinase inhibitors 北京原基华毅生物科技有限公司 2022-11-04 CN disclosed
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 WO disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
EP-2229383-B1 ISOXAZOLO-PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance ABBOTT LABORATORIES 2006-07-27 US disclosed
WO-2006074003-A2 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 WO disclosed
EP-1328534-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE Abbott Laboratories (US) 2003-07-23 EP disclosed
EP-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP disclosed
WO-2002032919-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE ABBOTT LABORATORIES (US) 2002-04-25 WO disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 WO disclosed
US-5378702-A Thiadizinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 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 (3 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-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance CYP2D6, CYP2B6, UGT1A6 CES2 210/4885CES1 134/4885CA1 4874/4885
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS GABRA5, GABRB3, GABRA3 CES2 1592/4885CES1 1151/4885CA1 2529/4885
US-20240376089-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE HIF1AN, HIF1A, EGLN3 CES2 4360/4885CES1 2206/4885CA1 3707/4885

“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.