SCHEMBL4575357

SCHEMBL4575357

CCc1ccc(CN(CCc2ccc(O)c(Br)c2)c2ncc(CC)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.37
NFKB1 P19838 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PMP22 Q01453 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TRPA1 O75762 1/20 0.33

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
SCHEMBL4575226 0.90 CYP19A1 (0.33) CYP19A1NFKB1CYP2D6TSHRCYP3A4
SCHEMBL4576170 0.88 CETP (0.35) CYP19A1TSHRLMNAMAPT
SCHEMBL4575648 0.86 ESR1 (0.41) NFKB1CYP2D6TSHRCYP3A4DRD2
SCHEMBL4575849 0.80 CYP1A2 (0.47) CYP2D6CYP3A4HSD17B10NPC1GAA
SCHEMBL4575120 0.78 CYP1A2 (0.39) CYP2D6HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL4575998 0.78 CYP1A2 (0.39) CYP2D6HSD17B10SMN1; SMN2CYP1A2CYP2C19
SCHEMBL4575352 0.78 CYP19A1 (0.34) CYP19A1NFKB1CYP2D6TSHRCYP3A4
SCHEMBL4575413 0.78 ESR1 (0.37) KDM4EESR1ESR2GAASMN1; SMN2
SCHEMBL4575994 0.76 CETP (0.36) ESR1ESR2LMNAMAPT
SCHEMBL4575425 0.75 NR1H2 (0.40) TSHRLMNAMAPT

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
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
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
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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 (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 CYP19A1 579/4885NFKB1 1641/4885CYP2D6 620/4885

“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.