SCHEMBL4575491

SCHEMBL4575491

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 2/20 0.42
CNR2 P34972 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL4575113 0.84 LMNA (0.49) MAPTTP53TSHRLMNAUSP2
SCHEMBL4575334 0.83 USP2 (0.51) MAPTTSHRLMNAUSP2CYP1A2
SCHEMBL4575315 0.81 LMNA (0.49) MAPTTP53TSHRLMNAUSP2
SCHEMBL4575454 0.81 BCDIN3D (0.50) MAPTTSHRLMNAUSP2CYP1A2
SCHEMBL12013165 0.77 S1PR1 (0.46) GAA
SCHEMBL13461833 0.74 CTSS (0.49) TSHRCYP1A2CYP3A4SMN1; SMN2POLB
SCHEMBL4574736 0.73 USP2 (0.40) MAPTTSHRLMNAUSP2CYP1A2
SCHEMBL4575188 0.71 SLC2A1 (0.49) MAPTGAAPOLBNPSR1APP
SCHEMBL12788955 0.70 KDM4E (0.64) TSHRLMNACYP1A2CYP3A4MEN1
SCHEMBL4574640 0.70 MAPT (0.42) MAPTTSHRLMNAUSP2GAA

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 MAPT 3860/4885TP53 1380/4885TSHR 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.