SCHEMBL5146172

SCHEMBL5146172

CC(C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL5271778 1.00 MEN1 (0.58) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL7149533 1.00 MEN1 (0.58) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL27168273 0.91 PGR (0.54) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL19349131 0.86 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL1370501 0.86 MEN1 (0.56) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL1370500 0.86 MEN1 (0.56) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL11164223 0.83 KMT2A (0.57) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL1642206 0.83 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL8472603 0.83 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL40674 0.82 KMT2A (0.57) MEN1KMT2AALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3890713-A1 L-DOPA AND/OR DOPA DECARBOXYLSE INHIBITORS CONJUGATED TO SUGAR FOR THE TREATMENT OF DOPAMINE-RESPONSIVE DISORDERS B.G. Negev Technologies and Applications Ltd., at Ben-Gurion University (IL) 2021-10-13 EP disclosed
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed
US-20200270210-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED 2020-08-27 US disclosed
US-10710963-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-07-14 US disclosed
WO-2020115753-A1 L-DOPA AND/OR DOPA DECARBOXYLSE INHIBITORS CONJUGATED TO SUGAR FOR THE TREATMENT OF DOPAMINE-RESPONSIVE DISORDERS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2020-06-11 WO disclosed
EP-2888247-B1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2020-03-25 EP disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20190127326-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-05-02 US disclosed
WO-2006028545-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
US-6930157-B2 Catalyst composition for preparing olefin polymers INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2005-08-16 US disclosed
US-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 US disclosed
US-20040048834-A1 Antitumoral compounds PHARMA MAR, S.A. (ES) 2004-03-11 US disclosed
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives AMERICAN CYANAMID COMPANY 2003-05-08 US disclosed
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 WO disclosed
US-5990341-A Diastereoselective synthesis hydroxyethylene dipeptide isosteres EMORY UNIVERSITY (US) 1999-11-23 US disclosed
US-5587514-A Diastereoselective synthesis of hydroxyethylene dipeptide isosteres EMORY UNIVERSITY (US) 1996-12-24 US disclosed
WO-1995014655-A1 DIASTEREOSELECTIVE SYNTHESIS OF HYDROXYETHYLENE DIPEPTIDE ISOSTERES EMORY UNIVERSITY (US) 1995-06-01 WO disclosed
US-4990669-A Optically active α-amino aldehydes, process for the preparation thereof, and the use thereof for the stereoselective preparation of optically active β-amino alcohols BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 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 (7 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-20040048834-A1 Antitumoral compounds HCCS, MSR1, SUCNR1 MEN1 3148/4885KMT2A 2360/4885LMNA 2657/4885
US-20200270210-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA MEN1 674/4885KMT2A 2331/4885LMNA 4095/4885
US-10710963-B2 Chemical compounds AR, NR5A1, ESRRA MEN1 674/4885KMT2A 2331/4885LMNA 4095/4885
US-10351595-B2 MRPL21, PRSS1, PEPD MEN1 3458/4885KMT2A 4084/4885LMNA 2198/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC MEN1 2531/4885KMT2A 3283/4885LMNA 1857/4885
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives UMPS, METTL3, FPR3 MEN1 920/4885KMT2A 3211/4885LMNA 3483/4885
US-20190127326-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA MEN1 674/4885KMT2A 2331/4885LMNA 4095/4885

“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.