SCHEMBL4125050

SCHEMBL4125050

CC(=O)Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL20436327 0.91 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL7715325 0.83 MAPT (0.51) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL30237970 0.82 MEN1 (0.60) MAPTHDAC3HDAC1HDAC2KCNJ11
SCHEMBL18619655 0.82 ABCC9 (0.48) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL20625930 0.81 HDAC1 (0.45) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL20458583 0.80 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL10609908 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL20441471 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL4125057 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL17559536 0.78 MEN1 (0.43) KDM4EALDH1A1HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11327060-B2 Method for analyzing enantiomer AJINOMOTO CO., INC. (JP) 2022-05-10 US disclosed
US-11327060-B2 Method for analyzing enantiomer AJINOMOTO CO., INC. (JP) 2022-05-10 US disclosed
EP-3358346-B1 ENANTIOMER ANALYSIS METHOD AJINOMOTO KK (JP) 2022-01-19 EP disclosed
EP-3358346-B1 ENANTIOMER ANALYSIS METHOD AJINOMOTO KK (JP) 2022-01-19 EP disclosed
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors NOVARTIS AG (CH) 2019-08-20 US disclosed
US-10174161-B2 Transformation of meso-lactide COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-01-08 US disclosed
EP-3358346-A1 ENANTIOMER ANALYSIS METHOD Ajinomoto Co., Inc. (JP) 2018-08-08 EP disclosed
EP-3358346-A1 ENANTIOMER ANALYSIS METHOD Ajinomoto Co., Inc. (JP) 2018-08-08 EP disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 US disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 US disclosed
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER AJINOMOTO CO., INC. (JP) 2018-08-02 US disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 US disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 US disclosed
WO-2017041017-A1 TRANSFORMATIONS OF MESO-LACTIDE COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2017-03-09 WO disclosed
US-8084641-B2 Organocataslysts and methods of use in chemical synthesis STC.UNM (US) 2011-12-27 US disclosed
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis REGENTS OF THE UNIVERSITY OF NEW MEXICO 2009-04-02 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 (6 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-11327060-B2 Method for analyzing enantiomer DCX, INF2, SRD5A2 KDM4E 3290/4885ALDH1A1 834/4885HPGD 1872/4885
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors MME, ACE, REN KDM4E 2269/4885ALDH1A1 934/4885HPGD 243/4885
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN KDM4E 2269/4885ALDH1A1 934/4885HPGD 243/4885
US-10174161-B2 Transformation of meso-lactide RALA, LCT, LTA KDM4E 1464/4885ALDH1A1 2306/4885HPGD 2897/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 KDM4E 3290/4885ALDH1A1 834/4885HPGD 1872/4885
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis ICMT, PPOX, CYP4F3 KDM4E 2323/4885ALDH1A1 1418/4885HPGD 872/4885

“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.