SCHEMBL2219385

SCHEMBL2219385

NCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IDO1 P14902 1/20 0.51
SLC15A1 P46059 1/20 0.49
LTA4H P09960 1/20 0.49
LAP3 P28838 1/20 0.49
SLC1A1 P43005 4/20 0.49
SLC1A3 P43003 3/20 0.49
SLC1A2 P43004 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALPI P09923 1/20 0.48

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
SCHEMBL22535886 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL22535897 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL29984773 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL5275750 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7272552 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL383649 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7012123 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL22433276 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL22433275 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL218262 0.85 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557704-B Preparation method of pixantrone maleate 北京凯莱天成医药科技有限公司 2017-05-10 CN claimed
EP-3768294-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS Carmot Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
EP-2341944-B1 CONJUGATES OF HEXOSE AND METAL COORDINATING COMPOUNDS FOR IMAGING PURPOSES CURIUM US LLC (US) 2019-06-26 EP disclosed
CN-104557704-B Preparation method of pixantrone maleate 北京凯莱天成医药科技有限公司 2017-05-10 CN disclosed
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
EP-1904463-A2 COMPLEXES CONTAINING PERFLUOROALKYL, METHOD FOR THE PRODUCTION AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-02 EP disclosed
CN-1100767-C Macrocyclic metal complex carboxylic acids, their use and processes for their preparation SCHERING AG (DE) 2003-02-05 CN disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP disclosed
CN-1239958-A Macrocyclic metal complex carboxylic acids, use and method for production thereof SCHERING AG (DE) 1999-12-29 CN disclosed
WO-1999050244-A9 NITROXIDE FREE RADICAL DUAL INDICATOR AGENTS LIPITEK INC (US) 1999-12-09 WO disclosed
WO-1999050244-A1 NITROXIDE FREE RADICAL DUAL INDICATOR AGENTS LIPITEK, INC. (US) 1999-10-07 WO disclosed
CN-1151701-A Concatemer-polymer complexes, process for their preparation and pharmaceutical agents containing them SCHERING AG (DE) 1997-06-11 CN disclosed
US-5126448-A Anxiolytic agents, learning enhancement ASAHI KASEI KOGYO K.K. (JP) 1992-06-30 US disclosed
EP-0285671-A1 PYRIDINE DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 1988-10-12 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 (3 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-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 ALDH1A1 959/4885KMT2A 2498/4885MAPK1 3330/4885
US-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 ALDH1A1 2304/4885KMT2A 1097/4885MAPK1 758/4885
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY SLC2A1, SLC2A4, SLC2A3 ALDH1A1 959/4885KMT2A 2498/4885MAPK1 3330/4885

“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.