SCHEMBL2396879

SCHEMBL2396879

Cc1ccc(C(=O)Cl)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
NTRK1 P04629 1/20 0.38
CLCN2 P51788 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL27746541 0.85 HPGD (0.43) HPGDHTTALDH1A1ALOX15L3MBTL1
SCHEMBL19912810 0.83 HPGD (0.42) HPGDHTTALDH1A1ALOX15L3MBTL1
SCHEMBL879722 0.81 ALDH1A1 (0.52) HPGDHTTALDH1A1ALOX15L3MBTL1
SCHEMBL5626524 0.80 ALDH1A1 (0.40) HPGDHTTALDH1A1ALOX15CES2
SCHEMBL12327908 0.80 HPGD (0.55) HPGDHTTALDH1A1ALOX15L3MBTL1
SCHEMBL29688713 0.80 HPGD (0.55) HPGDHTTALDH1A1ALOX15L3MBTL1
SCHEMBL489533 0.80 HPGD (0.55) HPGDHTTALDH1A1ALOX15L3MBTL1
SCHEMBL5342753 0.78 HPGD (0.53) HPGDHTTALDH1A1L3MBTL1CES2
SCHEMBL7811504 0.78 HPGD (0.53) HPGDHTTL3MBTL1CES2CES1
SCHEMBL18506338 0.78 HPGD (0.44) HPGDHTTL3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422231-B2 Method for inhibiting Trypanosoma cruzi HOWARD UNIVERSITY (US) 2016-08-23 US disclosed
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI HOWARD UNIVERRSITY (US) 2015-03-12 US disclosed
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY 2014-11-13 US disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
WO-2013074930-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY (US) 2013-05-23 WO disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
WO-2013016661-A1 METHOD FOR INHIBITING TRYPANSOMA CRUZI HOWARD UNIVERSITY (US) 2013-01-31 WO disclosed
EP-2173724-B1 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2012-12-05 EP disclosed
US-8232285-B2 Quinazolinone compounds and methods of use thereof ARQULE, INC. (US) 2012-07-31 US disclosed
US-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2011-09-08 US disclosed
EP-2173724-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2010-04-14 EP disclosed
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof ARQULE, INC. (US) 2009-05-21 US disclosed
WO-2009002808-A2 QUINAZOLINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2008-12-31 WO disclosed
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-03-27 US disclosed
EP-1824822-A2 NOVEL 4-AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2007-08-29 EP disclosed
WO-2006056930-A2 NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-01 WO disclosed
WO-2006056930-A2 NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-01 WO disclosed
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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 (7 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-20110217300-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 HPGD 111/4885HTT 1647/4885ALDH1A1 352/4885
US-20090130097-A1 Quinazolinone Compounds and Methods of Use Thereof NQO2, NQO1, MKI67 HPGD 111/4885HTT 1647/4885ALDH1A1 352/4885
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS LSS, CYP51A1, NQO1 HPGD 925/4885HTT 4202/4885ALDH1A1 911/4885
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B HPGD 164/4885HTT 4492/4885ALDH1A1 839/4885
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI PCNA, NQO1, NQO2 HPGD 507/4885HTT 3841/4885ALDH1A1 1806/4885
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives METAP1, DNPEP, PEPD HPGD 2995/4885HTT 4229/4885ALDH1A1 1303/4885
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG HPGD 462/4885HTT 4042/4885ALDH1A1 2506/4885

“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.