SCHEMBL3582701

SCHEMBL3582701

O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1cnccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 7/20 0.58
GPR35 Q9HC97 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
GMNN O75496 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
BLM P54132 1/20 0.56
GFER P55789 1/20 0.56

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
SCHEMBL7370239 0.83 TTR (0.72) TTRGPR35KDM4EMEN1GMNN
SCHEMBL3589380 0.81 TTR (0.55) TTRGPR35KDM4EMEN1GMNN
SCHEMBL1446830 0.78 TTR (0.57) TTRGPR35KDM4EMEN1GMNN
SCHEMBL7365493 0.77 TTR (0.69) TTRGPR35KDM4EMEN1GMNN
SCHEMBL3585580 0.77 TTR (0.62) TTRGPR35KDM4EMEN1GMNN
SCHEMBL10621489 0.76 TTR (0.61) TTRGPR35KDM4EMEN1GMNN
SCHEMBL3594944 0.76 FTO (0.66) GPR35MEN1ALDH1A1LMNAMAPT
SCHEMBL3594950 0.76 FTO (0.66) GPR35MEN1ALDH1A1LMNAMAPT
SCHEMBL7373087 0.75 TTR (0.59) TTRGPR35KDM4EMEN1GMNN
SCHEMBL3588102 0.75 TTR (0.69) TTRGPR35KDM4EMEN1GMNN

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 TTR 2094/4885GPR35 428/4885KDM4E 3648/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TTR 2094/4885GPR35 428/4885KDM4E 3648/4885

“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.