SCHEMBL4575608

SCHEMBL4575608

CCc1cnc(N(CCc2ccc(OC)c(C)c2)Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PPARD Q03181 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTGER1 P34995 1/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
NR1I2 O75469 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDE P14735 1/20 0.35
UBE2N P61088 1/20 0.35
SLC6A4 P31645 2/20 0.34

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
SCHEMBL4575688 0.87 PPARD (0.52) PPARD
SCHEMBL4575994 0.87 CETP (0.36) LMNAMAPTSLC6A4SLC6A3RXRA
SCHEMBL4575138 0.86 PPARD (0.49) PPARD
SCHEMBL4575158 0.85 PPARD (0.38) CYP2C9TSHRPPARD
SCHEMBL4575339 0.83 PPARA (0.44) PPARD
SCHEMBL4575060 0.81 BCHE (0.43) LMNAMAPTMEN1KMT2ATSHR
SCHEMBL4575425 0.80 NR1H2 (0.40) LMNAMAPTTSHRSLC6A4SLC6A3
SCHEMBL4576170 0.80 CETP (0.35) LMNAMAPTMEN1KMT2ATSHR
SCHEMBL4575451 0.80 PRMT6 (0.36) LMNAMAPTMEN1KMT2ATSHR
SCHEMBL4574993 0.79 CETP (0.35) LMNAMAPTSLC6A4RXRAGRIN1

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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 (1 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD LMNA 3670/4885MAPT 3860/4885MEN1 4576/4885

“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.