SCHEMBL4741727

SCHEMBL4741727

Clc1cccc(Nc2ccnc3c(Cl)cccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 0.68
ERBB2 P04626 3/20 0.56
PTK6 Q13882 3/20 0.56
GRM4 Q14833 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NR4A2 P43354 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
ROCK1 Q13464 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
CA9 Q16790 1/20 0.46
EGFR P00533 3/20 0.46

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
SCHEMBL6071379 0.85 PTK6 (0.59) FADS1PTK6GRM4SMN1; SMN2KDM4E
SCHEMBL4740569 0.81 FADS1 (1.00) FADS1ERBB2PTK6HTTNR4A2
SCHEMBL4740884 0.78 FADS1 (0.58) FADS1ERBB2PTK6GRM4NR4A2
SCHEMBL20506592 0.77 GAK (0.56) FADS1ERBB2PTK6SMN1; SMN2KDM4E
SCHEMBL9017044 0.77 EGFR (0.68) FADS1ERBB2SMN1; SMN2KDM4EALDH1A1
SCHEMBL6071594 0.76 FADS1 (0.55) FADS1ERBB2PTK6GRM4KDM4E
SCHEMBL1617583 0.76 KDR (0.48) ERBB2PTK6SMN1; SMN2KDM4EALDH1A1
SCHEMBL858223 0.75 TTBK1 (0.63) FADS1ERBB2PTK6GRM4NR4A2
Hydrochloric Acid SCHEMBL11091908 0.75 EGFR (0.68) FADS1ERBB2SMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10739446 0.75 SMN1; SMN2 (0.46) FADS1ERBB2SMN1; SMN2KDM4EALDH1A1

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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 1059/4885ERBB2 2032/4885PTK6 1516/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885ERBB2 3512/4885PTK6 2570/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885ERBB2 3708/4885PTK6 2600/4885

“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.