SCHEMBL4575334

SCHEMBL4575334

CCc1cnc(NCCc2ccc(OC)c(C)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
LMNA P02545 5/20 0.50
TSHR P16473 4/20 0.50
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HTT P42858 4/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 5/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
ALOX15 P16050 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4575454 0.86 BCDIN3D (0.50) USP2LMNATSHRMAPTSMN1; SMN2
SCHEMBL4575113 0.86 LMNA (0.49) USP2LMNATSHRMAPTSMN1; SMN2
SCHEMBL4575315 0.86 LMNA (0.49) USP2LMNATSHRMAPTSMN1; SMN2
SCHEMBL4575491 0.83 MAPT (0.48) USP2LMNATSHRMAPTSMN1; SMN2
SCHEMBL4574640 0.82 MAPT (0.42) USP2LMNATSHRMAPTSMN1; SMN2
SCHEMBL4574736 0.79 USP2 (0.40) USP2LMNATSHRMAPTSMN1; SMN2
SCHEMBL4482868 0.74 HTT (0.54) MAPTSMN1; SMN2HTTGAAKDM4E
SCHEMBL4575188 0.74 SLC2A1 (0.49) MAPTGAAKDM4EPOLBNPSR1
SCHEMBL8338789 0.74 POLB (0.74) LMNATSHRMAPTSMN1; SMN2KDM4E
SCHEMBL4575737 0.73 TMEM97 (0.49) USP2MAPTHTTGAAKDM4E

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 USP2 3621/4885LMNA 3670/4885TSHR 1136/4885

“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.