SCHEMBL4740936

SCHEMBL4740936

COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2CCC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
GFER P55789 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KDR P35968 3/20 0.43
MAPT P10636 1/20 0.43
EGFR P00533 2/20 0.41
ERBB3 P21860 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL4739356 0.86 FADS1 (0.51) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4783582 0.86 FADS1 (0.53) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4785097 0.86 FADS1 (0.53) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4740979 0.85 FADS1 (0.50) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4740955 0.85 FADS1 (0.50) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4740978 0.84 FADS1 (0.49) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4785821 0.84 FADS1 (0.51) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4741010 0.83 FADS1 (0.48) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4741728 0.83 FADS1 (0.55) FADS1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4934407 0.83 AURKA (0.49) FADS1SMN1; SMN2MEN1KMT2ALMNA

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-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 1059/4885SMN1; SMN2 2636/4885MEN1 3245/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885SMN1; SMN2 700/4885MEN1 1919/4885

“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.