SCHEMBL10327459

SCHEMBL10327459

CCCOc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.39
F2RL3 Q96RI0 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
NR1I2 O75469 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
LTA4H P09960 1/20 0.35
TLR9 Q9NR96 4/20 0.35
PDE2A O00408 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PRKDC P78527 1/20 0.34
OGA O60502 1/20 0.33

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
SCHEMBL10327517 0.94 TLR7 (0.38) TLR7F2RL3PPARGPPARDNR1I2
SCHEMBL10327470 0.91 TLR7 (0.38) TLR7PPARGPPARDNR1I2LTA4H
SCHEMBL12711510 0.89 TLR7 (0.39) TLR7F2RL3NR1I2LTA4HTLR9
SCHEMBL10327520 0.88 NR1I2 (0.43) TLR7F2RL3PPARGPPARDNR1I2
SCHEMBL10327376 0.87 PPARG (0.38) TLR7F2RL3PPARGPPARDNR1I2
SCHEMBL10327522 0.87 PPARG (0.37) TLR7F2RL3PPARGPPARDNR1I2
SCHEMBL14491330 0.86 NR1I2 (0.36) PPARGPPARDNR1I2GPR119LTA4H
SCHEMBL10327532 0.86 RAB9A (0.37) TLR7F2RL3PPARGPPARDNR1I2
SCHEMBL10327530 0.85 TLR7 (0.39) TLR7F2RL3PPARGPPARDGPR119
SCHEMBL10327585 0.85 PPARG (0.38) TLR7F2RL3PPARGPPARDNR1I2

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 6 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
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 TLR7 409/4885F2RL3 3747/4885PPARG 3081/4885

“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.