SCHEMBL5364608

SCHEMBL5364608

Nc1ccc(Oc2c(F)cccc2F)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
THRB P10828 2/20 0.45
RECQL P46063 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 2/20 0.45
MCL1 Q07820 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
TNF P01375 1/20 0.45
HSPD1 P10809 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL5366292 0.84 GAA (0.48) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL5357684 0.82 SCN8A (0.48) ALDH1A1POLBHPGDGAAALB
SCHEMBL711924 0.82 KDM4E (0.59) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL20945312 0.80 KDM4E (0.65) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL28036174 0.79 HTT (0.54) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2748501 0.78 CTNNB1 (0.54) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL5366288 0.77 KDM4E (0.41) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL30024982 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL4759903 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL23121425 0.75 MAPT (0.51) ALDH1A1KDM4EMAPTPOLBMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663979-B1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2013-10-09 EP disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
EP-1663979-A1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER INC. (US) 2006-06-07 EP disclosed
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 US disclosed
US-20050065188-A1 Aryl or heteroaryl amide compounds ASKAT INC. (JP) 2005-03-24 US disclosed
WO-2005021508-A1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER INC. (US) 2005-03-10 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-20050065188-A1 Aryl or heteroaryl amide compounds HRH2, PTGER1, LTB4R2 ALDH1A1 860/4885KDM4E 875/4885MAPT 3996/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 ALDH1A1 897/4885KDM4E 2282/4885MAPT 2496/4885

“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.