SCHEMBL4937692

SCHEMBL4937692

COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2CC(=O)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDR P35968 2/20 0.42
GRM5 P41594 1/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 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
SCHEMBL4741979 0.88 FADS1 (0.48) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4934407 0.86 AURKA (0.49) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4740979 0.85 FADS1 (0.50) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4740978 0.84 FADS1 (0.49) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4741010 0.83 FADS1 (0.48) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4740936 0.81 FADS1 (0.49) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4785513 0.80 FADS1 (0.53) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4741728 0.80 FADS1 (0.55) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4785627 0.79 KDR (0.54) FADS1KMT2AMEN1LMNAHPGD
SCHEMBL4739356 0.78 FADS1 (0.51) FADS1KMT2AMEN1LMNAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1059/4885KMT2A 3920/4885MEN1 3245/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885KMT2A 3148/4885MEN1 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.