SCHEMBL3076875

SCHEMBL3076875

O=C1Nc2c(ccc(F)c2F)C1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.50
TGM2 P21980 3/20 0.50
DAO P14920 2/20 0.46
NSD2 O96028 1/20 0.46
BCHE P06276 1/20 0.46
LIG1 P18858 1/20 0.42
DNMT1 P26358 1/20 0.41
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL29860116 1.00 CES1 (0.50) CES1TGM2DAONSD2BCHE
SCHEMBL3085898 0.80 CES1 (0.62) CES1TGM2DAONSD2BCHE
SCHEMBL29689346 0.80 CES1 (0.62) CES1TGM2DAONSD2BCHE
SCHEMBL2661276 0.80 CES1 (0.47) CES1TGM2DAONSD2BCHE
SCHEMBL14358786 0.80 CES1 (0.67) CES1TGM2DAONSD2BCHE
SCHEMBL29689423 0.80 CES1 (0.67) CES1TGM2DAONSD2BCHE
SCHEMBL2373643 0.80 CES1 (0.47) CES1TGM2DAONSD2BCHE
SCHEMBL3093497 0.80 DAO (0.56) CES1TGM2DAONSD2BCHE
SCHEMBL15228756 0.80 CES1 (0.47) CES1TGM2DAONSD2BCHE
SCHEMBL30441928 0.80 CES1 (0.67) CES1TGM2DAONSD2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101038-A1 COMPOUNDS Psylo Pty Ltd (AU) 2025-03-27 US disclosed
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 US disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
CN-116997550-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof 杭州普洛药物研究院有限公司 2023-11-03 CN disclosed
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
CN-114853659-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof 普洛药业股份有限公司 2022-08-05 CN disclosed
EP-2522658-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE NIPPON SODA CO (JP) 2018-09-26 EP disclosed
EP-2711361-B1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO (JP) 2016-06-29 EP disclosed
EP-1135123-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2001-09-26 EP disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
WO-2000033834-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 WO disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
EP-0674629-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-10-04 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed
WO-1994014782-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1994-07-07 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 (2 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-20250101038-A1 COMPOUNDS NLN, SLC18A2, PYGB CES1 1556/4885TGM2 1172/4885DAO 516/4885
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 CES1 2687/4885TGM2 3175/4885DAO 655/4885

“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.