SCHEMBL4738591

SCHEMBL4738591

CNC(=O)c1cccc(-n2nc(Nc3cccc(Cl)c3)c3cc(OC)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PIK3CA P42336 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN9A Q15858 5/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KDR P35968 2/20 0.43
MAPT P10636 2/20 0.42
RARG P13631 1/20 0.42

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
SCHEMBL4741937 0.91 FADS1 (0.45) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL4741035 0.91 MEN1 (0.50) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL4742030 0.91 MAPT (0.52) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL4740964 0.91 FADS1 (0.48) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL4738610 0.88 RORC (0.51) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL4741009 0.86 TP53 (0.46) LMNAHPGDSMN1; SMN2MAPT
SCHEMBL4737856 0.82 FADS1 (0.48) FADS1MEN1KMT2ALMNAHPGD
SCHEMBL4737805 0.81 FADS1 (0.48) FADS1PIK3CAMEN1KMT2ALMNA
SCHEMBL4740853 0.81 FADS1 (0.50) FADS1MEN1KMT2ALMNAHPGD
SCHEMBL4741071 0.81 FADS1 (0.47) FADS1NPC1HPGDSMN1; SMN2KDR

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 6 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-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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 (2 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 1059/4885NPC1 1028/4885RAB9A 2662/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885NPC1 856/4885RAB9A 4449/4885

“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.