SCHEMBL1614525

SCHEMBL1614525

N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.54
HDAC8 Q9BY41 1/20 0.54
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 2/20 0.51
AKT1 P31749 1/20 0.51
AAK1 Q2M2I8 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5145729 1.00 BACE1 (0.54) BACE1HDAC8MAPTRAB9ANPC1
SCHEMBL4610411 0.91 BACE1 (0.57) BACE1HDAC8MAPTRAB9AMEN1
Aminobenzoic Acid SCHEMBL5668488 0.89 LNPEP (0.51) BACE1HDAC8MEN1KMT2ACYP1A2
SCHEMBL20353450 0.86 ROCK2 (0.69) ROCK2ROCK1AKT1
SCHEMBL8103667 0.85 MAPT (0.47) BACE1HDAC8MAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL29527153 0.85 HDAC8 (0.47) BACE1HDAC8RAB9AALDH1A1SMN1; SMN2
SCHEMBL30485178 0.84 LTA4H (0.60) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL25266534 0.84 MEN1 (0.55) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4609213 0.84 MEN1 (0.55) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL30427471 0.84 MEN1 (0.55) MAPTRAB9ANPC1MEN1KMT2A

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895482-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-07-22 EP claimed
WO-2014043019-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-03-20 WO claimed
EP-0642587-A4 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA. UNIV MICHIGAN (US) 1997-03-19 EP claimed
EP-0642587-A1 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA THE UNIVERSITY OF MICHIGAN (US) 1995-03-15 EP claimed
WO-1993024651-A1 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA UNIVERSITY OF MICHIGAN (US) 1993-12-09 WO claimed
US-5116735-A Colorimetric assay, hydrolysis of chromogen THE UNIVERSITY OF MICHIGAN (US) 1992-05-26 US claimed
EP-0165905-B1 DIAGNOSTIC ASSAY METHOD FOR THE DETECTION OF ORAL PATHOGENIC BACTERIA MIXTURES THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1989-03-08 EP claimed
WO-2023088470-A1 PROBIOTIC COMPOSITIONS FOR TREATMENT OF HAIR LOSS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-05-25 WO disclosed
US-10172306-B2 Production of ingenol, ingenol esters and/or tiglian-3-one derivatives by euphorbiaceae plant cell suspension cultures PHYTON HOLDINGS, LLC (US) 2019-01-08 US disclosed
WO-2018191561-A1 METHODS AND COMPOSITIONS FOR SPACIAL AND TEMPORAL MEASUREMENT OF CATALYTIC ACTIVITY THE UNIVERSITY OF CHICAGO (US) 2018-10-18 WO disclosed
US-20180042194-A1 PRODUCTION OF INGENOL, INGENOL ESTERS AND/OR TIGLIAN-3-ONE DERIVATIVES BY EUPHORBIACEAE PLANT CELL SUSPENSION CULTURES PHYTON HOLDINGS, LLC (US) 2018-02-15 US disclosed
EP-3270686-A1 PRODUCTION OF INGENOL, INGENOL ESTERS AND/OR TIGLIAN-3-ONE DERIVATIVES BY EUPHORBIACEAE PLANT CELL SUSPENSION CULTURES Phyton Holdings, LLC (US) 2018-01-24 EP disclosed
WO-2016150860-A1 PRODUCTION OF INGENOL, INGENOL ESTERS AND/OR TIGLIAN-3-ONE DERIVATIVES BY EUPHORBIACEAE PLANT CELL SUSPENSION CULTURES PHYTON BIOTECH GMBH (DE) 2016-09-29 WO disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed
EP-0794253-A2 Aminopeptidase GX, and a method of hydrolyzing a protein with the same Ajinomoto Co., Ltd. (JP) 1997-09-10 EP disclosed
EP-0642587-A4 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA. UNIV MICHIGAN (US) 1997-03-19 EP disclosed
EP-0642587-A1 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA THE UNIVERSITY OF MICHIGAN (US) 1995-03-15 EP disclosed
WO-1993024651-A1 SYSTEM FOR MEASURING PROTEOLYTIC ACTIVITY OF PERIODONTOPATHOGENIC BACTERIA UNIVERSITY OF MICHIGAN (US) 1993-12-09 WO disclosed
EP-0165905-B1 DIAGNOSTIC ASSAY METHOD FOR THE DETECTION OF ORAL PATHOGENIC BACTERIA MIXTURES THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1989-03-08 EP disclosed
EP-0165905-A1 Diagnostic assay method for the detection of oral pathogenic bacteria mixtures THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1985-12-27 EP 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-10172306-B2 Production of ingenol, ingenol esters and/or tiglian-3-one derivatives by euphorbiaceae plant cell suspension cultures LANCL2, ELOVL3, NFATC1 BACE1 4693/4885HDAC8 2660/4885MAPT 4203/4885
US-20180042194-A1 PRODUCTION OF INGENOL, INGENOL ESTERS AND/OR TIGLIAN-3-ONE DERIVATIVES BY EUPHORBIACEAE PLANT CELL SUSPENSION CULTURES ELOVL3, LANCL2, ICOS BACE1 4642/4885HDAC8 2735/4885MAPT 3715/4885

“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.