SCHEMBL515461

SCHEMBL515461

[O]c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
MAPT P10636 2/20 0.47
KIF11 P52732 1/20 0.44
GPR3 P46089 1/20 0.43
GALR1 P47211 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
NOTUM Q6P988 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
POLB P06746 1/20 0.41
CES1 P23141 1/20 0.40
PDE2A O00408 1/20 0.40
NISCH Q9Y2I1 1/20 0.40

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
SCHEMBL254957 0.86 MAPT (0.56) EPHX2MAPTKIF11GPR3TRPV1
SCHEMBL2088463 0.80 EPHX2 (0.35) EPHX2MAPTKIF11GALR1GAA
SCHEMBL28780452 0.78 EPHX2 (0.50) EPHX2MAPTKIF11GPR3KMT2A
SCHEMBL255560 0.76 GPR3 (0.52) EPHX2MAPTKIF11GPR3GAA
SCHEMBL13863723 0.76 MAPT (0.48) EPHX2MAPTKIF11GPR3TRPV1
SCHEMBL14563027 0.75 EPHX2 (0.48) EPHX2MAPTKIF11GPR3TRPV1
SCHEMBL10703810 0.75 ALDH1A1 (0.40) EPHX2MAPTTRPV1KMT2AL3MBTL1
SCHEMBL5073 0.74 TDP1 (0.50) EPHX2MAPTKIF11GPR3KMT2A
SCHEMBL15372299 0.74 MAPT (0.47) EPHX2MAPTKIF11GPR3TRPV1
SCHEMBL1807594 0.74 SLC6A2 (0.38) MAPTKIF11KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922350-B Novel benzimidazole compounds and medicinal use thereof 大日本住友制药株式会社 2022-04-19 CN claimed
US-20210323955-A1 METHODS AND AGENTS FOR TREATING DISEASE ANGION BIOMEDICA CORP. 2021-10-21 US claimed
US-10851095-B2 Methods and agents for treating disease ANGION BIOMEDICA CORP. (US) 2020-12-01 US claimed
EP-3348547-B1 BENZIMIDAZOLE DERIVATIVES AS NAV 1.7 (SODIUM CHANNEL, VOLTAGE-GATED, TYPE IX, ALPHA SUBUNIT (SCN9A)) INHIBITORS FOR TREATING PAIN, DYSURIA AND MULTIPLE SCLEROSIS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2020-07-22 EP claimed
US-20190256507-A1 METHODS AND AGENTS FOR TREATING DISEASE ANGION BIOMEDICA CORP. (US) 2019-08-22 US claimed
US-10287282-B2 Methods and agents for treating disease ANGION BIOMEDICA CORP. (US) 2019-05-14 US claimed
US-20180002324-A1 METHODS AND AGENTS FOR TREATING DISEASE ANGION BIOMEDICA CORP. (US) 2018-01-04 US claimed
EP-3240778-A1 METHODS AND AGENTS FOR TREATING DISEASE Angion Biomedica Corp. (US) 2017-11-08 EP claimed
CN-103533832-B Insecticide containing agriculture and garden or acaricidal composition pesticide 日本化药株式会社 2016-10-19 CN claimed
CN-105899073-A Insecticidal active mixtures comprising carboxamide compound 巴斯夫农业化学品有限公司 2016-08-24 CN claimed
WO-2000078795-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2000-12-28 WO claimed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP claimed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO claimed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO claimed
EP-0261459-A2 N-benzothiazolyl amides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-30 EP claimed
EP-0093976-B1 2,4-DIHALOGENBENZOYL UREAS AND THIOUREAS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-09-10 EP 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 (5 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-20180002324-A1 METHODS AND AGENTS FOR TREATING DISEASE REN, NR3C2, CYP11B2 EPHX2 251/4885MAPT 2809/4885KIF11 2764/4885
US-10851095-B2 Methods and agents for treating disease REN, NR3C2, CYP11B2 EPHX2 240/4885MAPT 2663/4885KIF11 2607/4885
US-10287282-B2 Methods and agents for treating disease REN, NR3C2, CYP11B2 EPHX2 251/4885MAPT 2809/4885KIF11 2764/4885
US-20190256507-A1 METHODS AND AGENTS FOR TREATING DISEASE REN, NR3C2, CYP11B2 EPHX2 240/4885MAPT 2663/4885KIF11 2607/4885
US-20210323955-A1 METHODS AND AGENTS FOR TREATING DISEASE REN, NR3C2, CYP11B2 EPHX2 240/4885MAPT 2663/4885KIF11 2607/4885

“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.