SCHEMBL3586711

SCHEMBL3586711

O=C(O)NN=C(Cc1cccnc1C(F)(F)F)c1cc(OCc2ccccc2)c(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.42
CTSV O60911 4/20 0.38
CTSL P07711 4/20 0.38
KMT2A Q03164 5/20 0.37
PPIA P62937 4/20 0.37
PPIF P30405 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL3586707 1.00 PTGES (0.42) PTGESCTSVCTSLKMT2APPIA
SCHEMBL3586703 1.00 PTGES (0.42) PTGESCTSVCTSLKMT2APPIA
SCHEMBL3877870 0.92 SMN1; SMN2 (0.40) PTGESCTSVCTSLKMT2APPIA
SCHEMBL3877875 0.92 SMN1; SMN2 (0.40) PTGESCTSVCTSLKMT2APPIA
SCHEMBL3587958 0.87 PPIA (0.41) PTGESCTSVCTSLKMT2APPIA
SCHEMBL30105376 0.78 RAB9A (0.46) PTGESCTSVCTSLKMT2AMAPT
SCHEMBL1447461 0.77 PTGES (0.40) PTGESCTSVCTSLKMT2AMAPT
SCHEMBL3593506 0.77 CTSV (0.42) PTGESCTSVCTSLKMT2APPIA
SCHEMBL3593504 0.76 NPC1 (0.45) PTGESCTSVCTSLKMT2AMAPT
SCHEMBL3593509 0.76 NPC1 (0.45) PTGESCTSVCTSLKMT2AMAPT

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
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
EP-2027091-B1 NEW PHARMACEUTICAL COMPOUNDS BIAL PORTELA & CA SA (PT) 2016-01-06 EP disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 WO 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 (2 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 PTGES 94/4885CTSV 2563/4885CTSL 2535/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 PTGES 94/4885CTSV 2563/4885CTSL 2535/4885

“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.