SCHEMBL4575352

SCHEMBL4575352

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 4/20 0.33
PDE2A O00408 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL4575413 0.89 ESR1 (0.37) NR1H2NR1H3PDE2ATMEM97KDM4E
SCHEMBL4575226 0.88 CYP19A1 (0.33) CYP19A1NR1H2NR1H3PDE2ATMEM97
SCHEMBL4575880 0.85 NR1H2 (0.42) NR1H2NR1H3PDE2AKDM4ELMNA
SCHEMBL4575149 0.83 PPARD (0.45)
SCHEMBL4575436 0.81 PPARA (0.49)
SCHEMBL4575153 0.80 PPARA (0.40) LMNA
SCHEMBL4575648 0.78 ESR1 (0.41) KDM4ELMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL4575451 0.78 PRMT6 (0.36) NR1H2NR1H3LMNATSHRCETP
SCHEMBL4575357 0.78 CYP19A1 (0.37) CYP19A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL4575994 0.77 CETP (0.36) NR1H2NR1H3LMNACETP

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 579/4885NR1H2 5/4885NR1H3 4/4885

“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.