SCHEMBL3584563

SCHEMBL3584563

COc1cc(C(=O)c2cccnc2C(F)(F)F)cc([N+](=O)[O-])c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.53
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.46
MEN1 O00255 5/20 0.46
RAB9A P51151 2/20 0.46
THRB P10828 2/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL3585580 0.86 TTR (0.62) TTRALDH1A1KMT2AKDM4EMAPT
SCHEMBL7367724 0.83 TTR (0.57) TTRALDH1A1KMT2AKDM4EMAPT
SCHEMBL3586390 0.79 SLC22A6 (0.55) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL7366072 0.79 TTR (0.73) TTRALDH1A1KMT2AKDM4EMAPT
SCHEMBL1447506 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL1447404 0.78 TTR (0.52) TTRALDH1A1KMT2AKDM4EMAPT
SCHEMBL7369635 0.78 TTR (0.58) TTRALDH1A1KMT2AKDM4EMAPT
SCHEMBL7369248 0.77 LMNA (0.66) TTRALDH1A1KMT2AKDM4EMAPT
SCHEMBL7371244 0.77 TTR (0.71) TTRALDH1A1KMT2AMAPTLMNA
SCHEMBL7368430 0.76 TTR (0.51) TTRALDH1A1KMT2AKDM4EMAPT

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 TTR 2094/4885ALDH1A1 1070/4885KMT2A 3356/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TTR 2094/4885ALDH1A1 1070/4885KMT2A 3356/4885

“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.