SCHEMBL3581785

SCHEMBL3581785

CCOC(=O)c1cc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)c([N+](=O)[O-])c2)n(C)c1-c1cccnc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.38
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34

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
SCHEMBL1447751 0.86 CTSV (0.34) ALDH1A1KMT2AMAPTMEN1HSP90AA1
SCHEMBL3584510 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1KMT2ANPC1MAPT
SCHEMBL28780443 0.83 CTSV (0.45) ALDH1A1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL3581595 0.74 POLB (0.47) NPC1MAPTRAB9A
SCHEMBL28780442 0.73 DHODH (0.43) ALDH1A1L3MBTL1KMT2AMAPTNFKB1
SCHEMBL1447240 0.73 POLB (0.46) NPC1MAPTNFKB1RAB9ANFKB2
SCHEMBL3590056 0.73 EIF4E (0.44) KMT2ACYP19A1CYP11B1CYP11B2MEN1
SCHEMBL3581708 0.72 TUBB4A (0.41) PPIAKMT2ANPC1RAB9ACYP19A1
SCHEMBL3877870 0.70 SMN1; SMN2 (0.40) PPIAALDH1A1KMT2ANPC1MAPT
SCHEMBL3877875 0.70 SMN1; SMN2 (0.40) PPIAALDH1A1KMT2ANPC1MAPT

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 PPIA 1202/4885ALDH1A1 1070/4885L3MBTL1 4603/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 PPIA 1202/4885ALDH1A1 1070/4885L3MBTL1 4603/4885

“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.