SCHEMBL4398063

SCHEMBL4398063

CCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.64
LMNA P02545 2/20 0.60
NPC1 O15118 2/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALOX5 P09917 3/20 0.57
CNR2 P34972 1/20 0.53
RAB9A P51151 1/20 0.51
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CA12 O43570 2/20 0.51

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
SCHEMBL28712083 0.98 LTB4R2 (0.63) LTB4R2LMNANPC1ALOX15TSHR
SCHEMBL4924149 0.98 LTB4R2 (0.63) LTB4R2LMNANPC1ALOX15TSHR
SCHEMBL29450616 0.98 LTB4R2 (0.63) LTB4R2LMNANPC1ALOX15TSHR
SCHEMBL4330338 0.95 LTB4R2 (0.70) LTB4R2LMNANPC1ALOX15TSHR
SCHEMBL28217434 0.92 LMNA (0.68) LTB4R2LMNANPC1ALOX15TSHR
SCHEMBL27357692 0.92 LTB4R2 (0.56) LTB4R2LMNANPC1ALOX15TSHR
SCHEMBL3455343 0.91 LTB4R2 (0.60) LTB4R2LMNANPC1ALOX15TSHR
SCHEMBL7129964 0.91 ALOX5 (0.66) LTB4R2LMNANPC1ALOX15TSHR
SCHEMBL7238328 0.90 EPHX2 (0.60) LTB4R2LMNAALOX15HSD17B10CNR2
SCHEMBL4156966 0.89 LTB4R2 (0.54) LTB4R2LMNANPC1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079792-C DP-IV-serine protease inhibitors FERRING BV (NL) 2002-02-27 CN claimed
CN-1141033-A Enzyme inhibitors FERRING BV (NL) 1997-01-22 CN claimed
US-9738685-B2 Use of ruthenium complexes for preparing amides, polypeptides and cyclic dipeptides YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-08-22 US disclosed
US-9738685-B2 Use of ruthenium complexes for preparing amides, polypeptides and cyclic dipeptides YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-08-22 US disclosed
US-20160152663-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-06-02 US disclosed
US-20160152663-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-06-02 US disclosed
US-9290441-B2 Use of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-03-22 US disclosed
US-9290441-B2 Use of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-03-22 US disclosed
US-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-10-04 US disclosed
US-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-10-04 US disclosed
US-8178723-B2 Process for preparing amides from alcohols and amines YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-05-15 US disclosed
US-8178723-B2 Process for preparing amides from alcohols and amines YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-05-15 US disclosed
US-20090112005-A1 PROCESS FOR PREPARING AMIDES FROM ALCOHOLS AND AMINES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2009-04-30 US disclosed
US-20090112005-A1 PROCESS FOR PREPARING AMIDES FROM ALCOHOLS AND AMINES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2009-04-30 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-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES ADH5, ADH1C, ADH1A LTB4R2 2354/4885LMNA 2176/4885NPC1 4444/4885
US-20090112005-A1 PROCESS FOR PREPARING AMIDES FROM ALCOHOLS AND AMINES ADH1A, ADH5, ADH1C LTB4R2 1537/4885LMNA 1682/4885NPC1 3922/4885
US-20160152663-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES ADH5, ADH1C, ADH1A LTB4R2 2354/4885LMNA 2176/4885NPC1 4444/4885

“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.