SCHEMBL9249052

SCHEMBL9249052

O=C(O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.84
KMT2A Q03164 4/20 0.83
MEN1 O00255 3/20 0.83
NR1H4 Q96RI1 5/20 0.77
KCNK3 O14649 2/20 0.75
KCNK9 Q9NPC2 2/20 0.75
PKM P14618 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
TP53 P04637 1/20 0.67
CREBBP Q92793 1/20 0.66
POLB P06746 1/20 0.66
SIRT1 Q96EB6 1/20 0.66
RAB9A P51151 3/20 0.65
PARP1 P09874 1/20 0.64
NPC1 O15118 2/20 0.64
HPGD P15428 1/20 0.64

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
SCHEMBL679144 0.96 KMT2A (0.90) HPSEKMT2AMEN1NR1H4KCNK3
Hydrochloric Acid SCHEMBL2106175 0.94 KMT2A (0.87) HPSEKMT2AMEN1NR1H4KCNK3
SCHEMBL30686768 0.92 MEN1 (0.83) HPSEKMT2AMEN1NR1H4KCNK3
SCHEMBL13381198 0.92 L3MBTL1 (0.82) HPSEKMT2AMEN1NR1H4KCNK3
SCHEMBL23070423 0.92 KMT2A (0.80) HPSEKMT2AMEN1NR1H4KCNK3
SCHEMBL14075235 0.92 PARP1 (0.78) HPSEKMT2AMEN1NR1H4KCNK3
SCHEMBL2076281 0.92 HPSE (0.72) HPSEKMT2AMEN1NR1H4KCNK3
SCHEMBL6865518 0.92 HPSE (0.72) HPSEKMT2AMEN1NR1H4KCNK3
SCHEMBL1814173 0.92 KCNK3 (0.82) HPSEKMT2AMEN1NR1H4KCNK3
SCHEMBL1817262 0.92 HPSE (0.72) HPSEKMT2AMEN1NR1H4KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995017321-A1 AIRBAG CONTAINING LIQUID CRYSTALLINE POLYMER BLEND AKZO NOBEL N.V. (NL) 1995-06-29 WO claimed
WO-1994011417-A1 THERMOTROPIC LIQUID CRYSTALLINE POLYAMIDE AKZO NOBEL INC. (US) 1994-05-26 WO claimed
US-5286838-A Copolymer of thermoplastic aliphatic polyamide and mesogen with ortho-and/or meta-linked aromatic groups AKZO N.V. (NL) 1994-02-15 US claimed
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 US disclosed
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
WO-1995017321-A1 AIRBAG CONTAINING LIQUID CRYSTALLINE POLYMER BLEND AKZO NOBEL N.V. (NL) 1995-06-29 WO disclosed
US-5286838-A Copolymer of thermoplastic aliphatic polyamide and mesogen with ortho-and/or meta-linked aromatic groups AKZO N.V. (NL) 1994-02-15 US 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-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE CBR3, CYCS, CYC1 HPSE 4589/4885KMT2A 2067/4885MEN1 2291/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX HPSE 560/4885KMT2A 3310/4885MEN1 4396/4885

“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.