SCHEMBL4740569

SCHEMBL4740569

Clc1cccc(Nc2ccnc3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 1.00
EGFR P00533 3/20 0.69
KDR P35968 4/20 0.62
ERBB2 P04626 2/20 0.61
PTK6 Q13882 1/20 0.61
LCK P06239 1/20 0.59
DNMT1 P26358 1/20 0.57
DNMT3A Q9Y6K1 1/20 0.57
CA9 Q16790 1/20 0.56
TGFBR1 P36897 1/20 0.54
GAK O14976 1/20 0.53
RIPK2 O43353 1/20 0.53
COQ8A Q8NI60 1/20 0.53
NLK Q9UBE8 1/20 0.53
APP P05067 1/20 0.53
NR4A2 P43354 1/20 0.53
HTT P42858 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL4738631 0.91 FADS1 (0.83) FADS1EGFRKDRERBB2PTK6
Metaquine SCHEMBL7205743 0.83 FADS1 (0.71) FADS1CA9GAKAPPNR4A2
SCHEMBL4740996 0.83 FADS1 (0.71) FADS1EGFRKDRERBB2PTK6
SCHEMBL15614056 0.83 FADS1 (0.71) FADS1EGFRKDRERBB2PTK6
SCHEMBL19633659 0.83 ALK (0.72) FADS1EGFRERBB2PTK6CA9
SCHEMBL19633641 0.83 FADS1 (0.71) FADS1EGFRERBB2PTK6CA9
SCHEMBL30307407 0.83 FADS1 (0.70) FADS1EGFRKDRERBB2DNMT1
SCHEMBL170830 0.82 ERBB2 (0.73) FADS1EGFRERBB2DNMT1DNMT3A
SCHEMBL30420824 0.82 ERBB2 (0.73) FADS1EGFRERBB2DNMT1DNMT3A
SCHEMBL4882303 0.82 EGFR (0.69) FADS1EGFRKDRERBB2PTK6

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
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
CN-115947684-A Method for preparing 4-aminoquinoline derivatives through palladium and copper concerted catalytic oxidation aromatization 贵州医科大学 2023-04-11 CN disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 FADS1 1059/4885EGFR 1259/4885KDR 1066/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885EGFR 2964/4885KDR 4593/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885EGFR 3860/4885KDR 4840/4885

“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.