SCHEMBL638408

SCHEMBL638408

NC(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ANPEP P15144 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 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
SCHEMBL6380241 1.00 EPHX1 (0.56) EPHX1KDM4ELMNAMAPK1SLC6A2
Hydrochloric Acid SCHEMBL5385721 0.98 EPHX1 (0.54) EPHX1KDM4ELMNAMAPK1SLC6A2
SCHEMBL10564045 0.80 LOXL2 (0.44) KDM4ELMNAMAPK1TAAR1MAOA
Hydrochloric Acid SCHEMBL5378431 0.78 LOXL2 (0.43) KDM4ELMNAMAPK1TAAR1MAOA
SCHEMBL7953179 0.78 ANPEP (0.47) EPHX1KDM4ELMNAMAPK1SLC6A2
SCHEMBL5113171 0.78 ESR1 (0.58) SLC6A2TAAR1SLC7A5
SCHEMBL6533959 0.78 ALPI (0.53) EPHX1KDM4ELMNAMAPK1SLC6A2
SCHEMBL11620748 0.78 KDM4E (0.56) EPHX1KDM4ELMNAMAPK1SLC6A2
SCHEMBL10253191 0.77 SLC6A2 (0.58) EPHX1KDM4ELMNAMAPK1SLC6A2
SCHEMBL5675489 0.77 KDM4E (0.66) EPHX1KDM4ELMNAMAPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013014287-A2 DEUTERIUM FREE, STABLE ISOTOPE LABELED 2-PHENYLETHYLAMINE HALLUCINOGENS AND/OR STIMULANTS, METHODS OF THEIR PREPARATION AND THEIR USE CHIRON AS (NO) 2013-01-31 WO claimed
EP-0910415-B1 FLUORO-LABELLED ANTHRACYCLINE AND ANTHRACYCLINONE DERIVATIVES PHARMACIA ITALIA SPA (IT) 2004-05-12 EP claimed
JP-2000514784-A 2000-11-07 JP claimed
US-6103700-A FOR DIAGNOSING AMYLOIDOSIS PHARMACIA & UPJOHN S.P.A. (IT) 2000-08-15 US claimed
EP-0910415-A1 FLUORO LABELLED ANTHRACYCLINONE AND ANTHRACYCLINE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1999-04-28 EP claimed
WO-1997049433-A1 FLUORO LABELLED ANTHRACYCLINONE AND ANTHRACYCLINE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO claimed
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 US disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2022-10-20 US disclosed
CN-115057883-A Two-dimensional perovskite white light material and preparation method and application thereof 吉林大学 2022-09-16 CN disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
EP-0910415-A1 FLUORO LABELLED ANTHRACYCLINONE AND ANTHRACYCLINE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1999-04-28 EP disclosed
WO-1997049433-A1 FLUORO LABELLED ANTHRACYCLINONE AND ANTHRACYCLINE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO disclosed
EP-0563132-B1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES BLACK JAMES FOUNDATION (GB) 1996-02-07 EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 US disclosed
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 EP disclosed
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 WO disclosed
US-3956333-A BACTERICIDE STERLING DRUG INC. (US) 1976-05-11 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 (4 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-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 EPHX1 3246/4885KDM4E 1101/4885LMNA 816/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 EPHX1 3246/4885KDM4E 1101/4885LMNA 816/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 EPHX1 3243/4885KDM4E 1095/4885LMNA 820/4885
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR119 EPHX1 1999/4885KDM4E 935/4885LMNA 4623/4885

“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.