SCHEMBL12608902

SCHEMBL12608902

CC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.81
DRD2 P14416 1/20 0.81
PTGES O14684 9/20 0.76
ALOX5 P09917 8/20 0.71
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 2/20 0.62
AGTR1 P30556 1/20 0.62
CCNE1 P24864 3/20 0.60
CDK2 P24941 3/20 0.60
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
USP2 O75604 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
AURKA O14965 2/20 0.56
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.55

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
Lonazolac SCHEMBL25221 0.90 KDM4E (1.00) KDM4EDRD2PTGESALOX5ALDH1A1
Lonazolac SCHEMBL1478078 0.88 KDM4E (0.97) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL10877279 0.88 KDM4E (0.83) KDM4EDRD2PTGESALOX5ALDH1A1
Lonazolac SCHEMBL287156 0.88 KDM4E (0.97) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL3475488 0.87 KDM4E (0.81) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL11253903 0.86 KDM4E (0.76) KDM4EDRD2PTGESALOX5ALDH1A1
Lonazolac SCHEMBL10577835 0.86 PTGES (1.00) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL11257500 0.85 KDM4E (0.77) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL11254654 0.84 KDM4E (0.72) KDM4EDRD2PTGESALOX5ALDH1A1
SCHEMBL11256580 0.84 KDM4E (0.72) KDM4EDRD2PTGESALOX5ALDH1A1

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
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 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-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 KDM4E 2862/4885DRD2 3176/4885PTGES 10/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 KDM4E 2862/4885DRD2 3176/4885PTGES 10/4885

“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.