SCHEMBL335651

SCHEMBL335651

COCOc1cc(CN2CCN(c3nc4ccc(Cl)cc4s3)CC2)ccc1C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.64
PPARG P37231 5/20 0.55
PPARA Q07869 4/20 0.55
CYP3A4 P08684 1/20 0.52
RAB9A P51151 8/20 0.50
NPC1 O15118 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
SSTR5 P35346 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL10219497 0.93 PPARD (0.55) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL14143860 0.91 PPARD (0.66) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL10219494 0.89 PPARD (0.52) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL14144161 0.87 PPARD (0.64) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL10220344 0.86 PPARD (0.73) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL10220045 0.84 PPARD (0.65) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL10219493 0.83 PPARD (0.52) PPARDPPARGPPARARAB9ANPC1
SCHEMBL334628 0.82 PPARD (0.57) PPARDPPARGPPARARAB9ANPC1
SCHEMBL27748074 0.81 NPC1 (0.54) PPARDPPARGPPARACYP3A4RAB9A
SCHEMBL334014 0.81 RAB9A (0.54) PPARDPPARGRAB9ANPC1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296914-B Derivatives with PPAR agonist activity SHIONOGI & CO 2012-07-18 CN disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PPARD 1/4885PPARG 3/4885PPARA 2/4885

“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.