SCHEMBL8635709

SCHEMBL8635709

O=C(O)c1ccccc1C(=O)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
APEX1 P27695 1/20 0.93
CYP2C19 P33261 2/20 0.78
CYP1A2 P05177 1/20 0.78
USP2 O75604 1/20 0.71
HPGD P15428 3/20 0.69
GAA P10253 2/20 0.69
LMNA P02545 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
METAP2 P50579 1/20 0.67
CHRNB2 P17787 1/20 0.67
CHRNB4 P30926 1/20 0.67
CHRNA3 P32297 1/20 0.67
CHRNA4 P43681 1/20 0.67
HTT P42858 1/20 0.63
TP53 P04637 1/20 0.63
GLA P06280 1/20 0.63
NSD2 O96028 2/20 0.61
SGMS2 Q8NHU3 1/20 0.61
CFD P00746 1/20 0.60

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
SCHEMBL1984940 1.00 KMT2A (1.00) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL11901003 0.94 KMT2A (0.89) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL31680569 0.94 KMT2A (0.89) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL12700348 0.90 APEX1 (0.87) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL6357013 0.88 KMT2A (1.00) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL16127956 0.88 APEX1 (0.84) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL6160362 0.88 KMT2A (0.78) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL7823453 0.88 APEX1 (0.84) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL20538849 0.88 KMT2A (0.78) KMT2AAPEX1CYP2C19CYP1A2USP2
SCHEMBL6720193 0.87 KMT2A (0.77) KMT2AAPEX1CYP2C19CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 US disclosed
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 WO disclosed
US-5847155-A Aromatic pyrrolidine amide prolyl endopeptidase inhibitors PFIZER INC (US) 1998-12-08 US disclosed
EP-0536163-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1993-04-14 EP disclosed
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 WO disclosed
US-4435567-A REACTING AN AMINE WITH AN N-CARBAMOYL BENZOIC ACID SULFIMIDE CHINOIN GYOGYSZER ES VESGYESZETI TERMEKEK GYARA R. T. (HU) 1984-03-06 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 (3 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885APEX1 709/4885CYP2C19 362/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 KMT2A 3000/4885APEX1 4071/4885CYP2C19 4864/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885APEX1 709/4885CYP2C19 362/4885

“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.