SCHEMBL4125057

SCHEMBL4125057

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 3/20 0.45
GLA P06280 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
PKM P14618 1/20 0.40
MAOA P21397 1/20 0.39
PARP14 Q460N5 1/20 0.39

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 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL19286172 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAAGLA
SCHEMBL7715325 0.81 MAPT (0.51) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4125050 0.79 KDM4E (0.49) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL20436313 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL10609908 0.78 KDM4E (0.54) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL20441471 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL12348758 0.76 ROCK2 (0.41) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6053373 0.75 RXFP1 (0.46) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL12064530 0.75 GAA (0.47) ALDH1A1KDM4EMAPTHPGDGAA

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
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
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
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 (5 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 ALDH1A1 834/4885KDM4E 3290/4885MAPT 3206/4885
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors MME, ACE, REN ALDH1A1 934/4885KDM4E 2269/4885MAPT 326/4885
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN ALDH1A1 934/4885KDM4E 2269/4885MAPT 326/4885
US-20180217113-A1 METHOD FOR ANALYZING ENANTIOMER DCX, INF2, SRD5A2 ALDH1A1 834/4885KDM4E 3290/4885MAPT 3206/4885
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis ICMT, PPOX, CYP4F3 ALDH1A1 1418/4885KDM4E 2323/4885MAPT 2645/4885

“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.