SCHEMBL3593504

SCHEMBL3593504

N/C(=N\OC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c([N+](=O)[O-])c1)c1cccnc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 2/20 0.40
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
PTGES O14684 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3593509 1.00 NPC1 (0.45) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL30105376 0.93 RAB9A (0.46) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3593506 0.86 CTSV (0.42) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3587958 0.79 PPIA (0.41) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3586707 0.76 PTGES (0.42) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3586711 0.76 PTGES (0.42) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3586703 0.76 PTGES (0.42) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL1447273 0.74 PTGES (0.48) MAPTMEN1KMT2APKMCTSV
SCHEMBL1447274 0.74 PTGES (0.48) MAPTMEN1KMT2APKMCTSV
SCHEMBL13257189 0.73 LMNA (0.61) NPC1RAB9AMAPTMEN1KMT2A

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 NPC1 90/4885RAB9A 2812/4885MAPT 310/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 NPC1 90/4885RAB9A 2812/4885MAPT 310/4885

“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.