SCHEMBL4786372

SCHEMBL4786372

Clc1cccc(Nc2n[nH]c3c(Cl)cccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 8/20 0.68
ADRA2A P08913 1/20 0.53
GRM4 Q14833 1/20 0.52
EGFR P00533 5/20 0.52
PLK3 Q9H4B4 2/20 0.52
PLK4 O00444 1/20 0.52
DAPK3 O43293 1/20 0.52
DYRK3 O43781 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
RET P07949 1/20 0.52
PIM1 P11309 1/20 0.52
FER P16591 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52
MAPK1 P28482 1/20 0.52
AXL P30530 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
SCHEMBL4786436 0.86 FADS1 (0.64) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4796082 0.82 FADS1 (0.61) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4785857 0.82 FADS1 (0.60) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4783454 0.81 FADS1 (1.00) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4740995 0.80 FADS1 (0.57) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4785308 0.79 FADS1 (0.56) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4785320 0.79 FADS1 (0.56) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4785315 0.79 FADS1 (0.56) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4783389 0.79 FADS1 (0.54) FADS1GRM4EGFRPLK3PLK4
SCHEMBL4934856 0.79 FADS1 (0.55) FADS1GRM4EGFRPLK3PLK4

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 1059/4885ADRA2A 733/4885GRM4 1381/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL FADS1 192/4885ADRA2A 3466/4885GRM4 4347/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885ADRA2A 693/4885GRM4 1878/4885

“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.