SCHEMBL4575751

SCHEMBL4575751

CCc1cnc(NCCCc2ccc(OC)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
VNN1 O95497 3/20 0.46
HPGD P15428 1/20 0.45
CALM1 P0DP23 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 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
SCHEMBL31141672 0.74 MAPT (0.56) VNN1CYP1A2CYP3A4CYP2C9SMN1; SMN2
SCHEMBL4575737 0.73 TMEM97 (0.49) HPGDSIGMAR1HTTPOLBMAPT
SCHEMBL6835324 0.72 CHRM2 (0.56) CALM1SIGMAR1HTTSMN1; SMN2POLB
SCHEMBL4575334 0.71 USP2 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19HTT
SCHEMBL4615272 0.71 CALM1 (0.58) CALM1SIGMAR1HTTSMN1; SMN2POLB
SCHEMBL10463138 0.71 MCHR1 (0.56) CASP3SENP8SENP7SENP6CALM1
SCHEMBL14452322 0.71 DRD2 (0.50) SMN1; SMN2MAPT
SCHEMBL13662123 0.70 ACACB (0.40) CYP1A2CYP2C19
SCHEMBL12491284 0.70 MTNR1A (0.58) VNN1HTTSMN1; SMN2
SCHEMBL4575113 0.70 LMNA (0.49) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; 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 CASP3 2001/4885SENP8 2888/4885SENP7 2261/4885

“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.