SCHEMBL10327464

SCHEMBL10327464

CCOc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
MAPT P10636 11/20 0.44
TP53 P04637 8/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL14491327 0.93 PPARG (0.40) PPARGPPARDMAPTTP53KMT2A
SCHEMBL10327462 0.92 PPARG (0.46) PPARGPPARDMAPTTP53KMT2A
SCHEMBL14491325 0.87 PPARG (0.40) PPARGPPARDMAPTPPARA
SCHEMBL10327377 0.84 MAPT (0.44) PPARGPPARDMAPTTP53KMT2A
SCHEMBL13021438 0.83 PPARG (0.39) PPARGPPARDMAPTTP53KMT2A
SCHEMBL9986408 0.82 GPR119 (0.45) MAPTTP53KMT2ANPC1SMN1; SMN2
SCHEMBL1664257 0.80 PPARG (0.37) PPARGPPARDMAPTTP53KMT2A
SCHEMBL12796417 0.80 PPARG (0.37) PPARGPPARDMAPTTP53KMT2A
SCHEMBL10327517 0.80 TLR7 (0.38) PPARGPPARDTP53KMT2ANPC1
SCHEMBL10327371 0.80 PPARG (0.35) PPARGPPARDMAPTTP53KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217171-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2012-07-10 US disclosed
US-8217171-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2012-07-10 US disclosed
US-20110212966-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-09-01 US disclosed
US-20110212966-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-09-01 US disclosed
EP-1353911-B1 ANTIVIRAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2011-04-06 EP disclosed
US-7166604-B2 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-01-23 US disclosed
US-7166604-B2 N-Heterocyclic derivatives; picornavirus infections in mammals; human rhinovirus BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-01-23 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-20110212966-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PPARG 3081/4885PPARD 2637/4885MAPT 3618/4885

“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.