SCHEMBL2325829

SCHEMBL2325829

O=Cc1ccc(-c2ccc(F)cc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 5/20 1.00
LMNA P02545 2/20 1.00
TDP1 Q9NUW8 3/20 0.61
MAPT P10636 6/20 0.53
POLB P06746 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
PKM P14618 1/20 0.53
IGF1R P08069 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSP90AA1 P07900 1/20 0.50
LDHA P00338 1/20 0.49

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
SCHEMBL396870 0.89 ALDH1A1 (0.80) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL12177745 0.82 ALDH1A1 (0.69) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL2318474 0.80 KDM4E (0.67) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL397009 0.80 KDM4E (0.67) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL1143469 0.80 KDM4E (0.67) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL5229718 0.80 KDM4E (0.67) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL398700 0.80 ALDH1A1 (0.67) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL2158436 0.79 KDM4E (0.66) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL2365422 0.79 ALDH1A1 (0.66) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL622653 0.79 KDM4E (0.66) KDM4EALDH1A1LMNATDP1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666841-A Indole-tetramic acid compound, preparation and medical application thereof 中国医学科学院药物研究所 2024-09-20 CN disclosed
CN-103509009-A 2-substituted-5-phenyl furan compound, and preparation method, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2014-01-15 CN disclosed
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 US disclosed
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed
US-3962284-A 3-(5-ARYL-2-FURYL)-3-HYDROXYPROPIONIC ACIDS AND ETHYL ESTERS MORTON-NORWICH PRODUCTS, INC. (US) 1976-06-08 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 (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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 KDM4E 4138/4885ALDH1A1 270/4885LMNA 3523/4885

“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.