SCHEMBL3590964

SCHEMBL3590964

CCOC(=O)c1c(-c2cc(O)c(O)c([N+](=O)[O-])c2)coc1-c1cccnc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
RECQL P46063 1/20 0.38
TDO2 P48775 1/20 0.38
BLM P54132 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL3585030 0.89 TDP2 (0.37) ALOX5MAPTNPC1NFKB1MAPK1
SCHEMBL3588357 0.86 MAPT (0.39) ALOX5MAPTNPC1NFKB1MAPK1
SCHEMBL1448322 0.83 MAPT (0.40) ALOX5MAPTMAPK1MEN1ALDH1A1
SCHEMBL3581343 0.82 MAPT (0.39) ALOX5MAPTMAPK1MEN1ALDH1A1
SCHEMBL3587861 0.82 MAPT (0.38) ALOX5MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL3584770 0.81 ALDH1A1 (0.37) ALOX5MAPTMAPK1KDM4EALDH1A1
SCHEMBL3585249 0.81 MAPT (0.38) ALOX5MAPTMAPK1KDM4EMEN1
SCHEMBL3584882 0.81 MAPT (0.38) MAPTMAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL3592544 0.81 MAPT (0.39) ALOX5MAPTNPC1MAPK1RAB9A
SCHEMBL3591295 0.81 MAPT (0.39) ALOX5MAPTNPC1MAPK1RAB9A

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-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US 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 ALOX5 638/4885MAPT 310/4885NPC1 90/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 ALOX5 638/4885MAPT 310/4885NPC1 90/4885

“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.