SCHEMBL4740571

SCHEMBL4740571

Clc1cccc(NC2CCOc3ccccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.62
LRRK2 Q5S007 1/20 0.49
MAP3K14 Q99558 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOB P27338 3/20 0.41
EGFR P00533 2/20 0.39
MAOA P21397 1/20 0.39
LMNA P02545 2/20 0.39
CCR6 P51684 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4740830 0.85 FADS1 (0.49) FADS1LRRK2MAP3K14NPC1RAB9A
SCHEMBL17845348 0.82 FADS1 (0.52) FADS1MAP3K14NPC1RAB9AMEN1
SCHEMBL17845650 0.79 FADS1 (0.50) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL17845716 0.79 FADS1 (0.50) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL4935777 0.77 FADS1 (1.00) FADS1MEN1KMT2AMAOBMAOA
SCHEMBL12162969 0.73 ITGB2 (0.43) LRRK2LMNACCR6MAPK1SMN1; SMN2
SCHEMBL5017486 0.72 ITGB2 (0.46) LRRK2MAP3K14LMNAMAPK1SMN1; SMN2
SCHEMBL6431777 0.72 ITGB2 (0.46) LRRK2MAP3K14LMNAMAPK1SMN1; SMN2
SCHEMBL11249934 0.72 FADS1 (0.49) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL4805296 0.71 FADS1 (0.78) FADS1NPC1RAB9AMEN1KMT2A

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-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-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 (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 1059/4885LRRK2 4198/4885MAP3K14 1801/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885LRRK2 4836/4885MAP3K14 4227/4885

“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.