SCHEMBL4933434

SCHEMBL4933434

COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2CC(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.50
SRC P12931 8/20 0.46
KDR P35968 2/20 0.44
HCK P08631 1/20 0.43
PIM1 P11309 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
ABL1 P00519 4/20 0.42
PTGS2 P35354 2/20 0.40
MAPT P10636 1/20 0.40
EGFR P00533 1/20 0.40
ERBB3 P21860 1/20 0.40
FYN P06241 1/20 0.40
FLT3 P36888 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
SCHEMBL4801370 0.87 FADS1 (0.52) FADS1SRCKDRMEN1LMNA
SCHEMBL4785513 0.84 FADS1 (0.53) FADS1SRCKDRMEN1LMNA
SCHEMBL4740955 0.83 FADS1 (0.50) FADS1SRCKDRMEN1LMNA
SCHEMBL4741728 0.82 FADS1 (0.55) FADS1SRCKDRMEN1LMNA
SCHEMBL4741979 0.81 FADS1 (0.48) FADS1KDRMEN1LMNAHPGD
SCHEMBL4785627 0.81 KDR (0.54) FADS1KDRMEN1LMNAHPGD
SCHEMBL4739356 0.81 FADS1 (0.51) FADS1SRCKDRMEN1LMNA
SCHEMBL4785824 0.81 FADS1 (0.51) FADS1SRCKDRHCKPIM1
SCHEMBL4783582 0.80 FADS1 (0.53) FADS1SRCKDRMEN1LMNA
SCHEMBL4785097 0.80 FADS1 (0.53) FADS1SRCKDRMEN1LMNA

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 1059/4885SRC 427/4885KDR 1066/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885SRC 2871/4885KDR 4840/4885

“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.