SCHEMBL4738840

SCHEMBL4738840

Clc1cccc(Nc2cccc3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 1.00
CDC25B P30305 2/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP3A4 P08684 2/20 0.67
HPGD P15428 2/20 0.67
ALOX15 P16050 2/20 0.67
HSD17B10 Q99714 2/20 0.67
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
ATM Q13315 1/20 0.67
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 2/20 0.50
ERBB2 P04626 1/20 0.50

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
SCHEMBL10338322 0.87 CDC25B (0.80) FADS1CDC25BALDH1A1CYP3A4HPGD
SCHEMBL3948184 0.82 FADS1 (0.69) FADS1CDC25BALDH1A1CYP3A4HPGD
SCHEMBL4397477 0.81 HSD17B10 (0.76) FADS1CDC25BALDH1A1CYP3A4HPGD
SCHEMBL19796 0.81 ALDH1A1 (1.00) FADS1CDC25BALDH1A1CYP3A4HPGD
SCHEMBL29350230 0.81 ALDH1A1 (1.00) FADS1CDC25BALDH1A1CYP3A4HPGD
SCHEMBL9486043 0.80 ALDH1A1 (0.81) FADS1CDC25BALDH1A1CYP3A4HPGD
SCHEMBL4741357 0.79 FADS1 (0.66) FADS1CDC25BALDH1A1CYP3A4HPGD
Ammonia Solution, Strong SCHEMBL20918916 0.79 ALDH1A1 (0.96) FADS1CDC25BALDH1A1CYP3A4HPGD
Hydrochloric Acid SCHEMBL7408656 0.79 ALDH1A1 (0.96) FADS1CDC25BALDH1A1CYP3A4HPGD
Diphenylamine SCHEMBL1072941 0.79 ALDH1A1 (0.96) FADS1CDC25BALDH1A1CYP3A4HPGD

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 7 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
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 1059/4885CDC25B 2069/4885ALDH1A1 752/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885CDC25B 1130/4885ALDH1A1 978/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885CDC25B 4033/4885ALDH1A1 1249/4885

“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.