SCHEMBL3586037

SCHEMBL3586037

O=[N+]([O-])c1cc(-c2nocc2-c2cccnc2C(F)(F)F)cc(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
KDM4E B2RXH2 7/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 7/20 0.40
TDP1 Q9NUW8 6/20 0.40
LMNA P02545 5/20 0.40
PKM P14618 3/20 0.40
RECQL P46063 3/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CASP6 P55212 2/20 0.40
THRB P10828 2/20 0.40
BLM P54132 2/20 0.40
POLB P06746 1/20 0.40
ERN1 O75460 1/20 0.38
CTSB P07858 2/20 0.38
GAA P10253 1/20 0.38
TTR P02766 3/20 0.36

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
SCHEMBL3584715 0.82 MEN1 (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3590792 0.82 TUBB4A (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3584042 0.81 DHODH (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3591823 0.81 CRHBP (0.47) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3585954 0.81 COMT (0.48) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3576357 0.81 MAPT (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3582958 0.80 MAPK1 (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3595074 0.80 MAPT (0.44) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3583897 0.80 MEN1 (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3580970 0.79 MAPT (0.39) MAPTKDM4EMEN1KMT2AALDH1A1

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 MAPT 310/4885KDM4E 3648/4885MEN1 3595/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 MAPT 310/4885KDM4E 3648/4885MEN1 3595/4885

“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.