SCHEMBL4575113

SCHEMBL4575113

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL4575334 0.86 USP2 (0.51) LMNATSHRUSP2MAPTSMN1; SMN2
SCHEMBL4575454 0.85 BCDIN3D (0.50) LMNATSHRUSP2MAPTSMN1; SMN2
SCHEMBL4575315 0.85 LMNA (0.49) LMNATSHRUSP2TP53MAPT
SCHEMBL4575491 0.84 MAPT (0.48) LMNATSHRUSP2TP53MAPT
SCHEMBL4574736 0.75 USP2 (0.40) LMNATSHRUSP2MAPTSMN1; SMN2
SCHEMBL2759522 0.75 HTT (0.51) LMNASMN1; SMN2MAPK1
SCHEMBL22905343 0.74 POLB (0.72) POLB
Ammonia Solution, Strong SCHEMBL23291273 0.74 HTT (0.50) LMNASMN1; SMN2MAPK1
SCHEMBL4575188 0.73 SLC2A1 (0.49) MAPTPOLBNPSR1GAAKMT2A
SCHEMBL4574640 0.73 MAPT (0.42) LMNATSHRUSP2MAPTSMN1; SMN2

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 4 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

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 3670/4885TSHR 1136/4885USP2 3621/4885

“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.