SCHEMBL2464403

SCHEMBL2464403

OB(O)c1ccccc1CN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
MPO P05164 2/20 0.48
CHRNA7 P36544 2/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45
LIPG Q9Y5X9 1/20 0.44
LIPE Q05469 1/20 0.44
CACNA1B Q00975 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL29952724 1.00 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL29956387 0.98 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL29951165 0.98 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL21352377 0.98 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL29504703 0.98 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL29954918 0.96 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL28983737 0.94 KDM4E (0.53) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL2561882 0.84 CYP2A13 (0.58) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL2553323 0.84 MC4R (0.55) ALDH1A1KMT2AKDM4EPOLBMPO
SCHEMBL1994576 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS SunVax mRNA Therapeutics Inc. (US) 2023-10-12 US disclosed
US-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS SunVax mRNA Therapeutics Inc. (US) 2023-10-12 US disclosed
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 EP disclosed
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
EP-2550257-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2013-01-30 EP disclosed
WO-2011116951-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2011-09-29 WO disclosed
US-7332343-B2 Determining enantiomeric excess using indicator-displacement assays BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-02-19 US disclosed
US-20070292968-A1 Determining Enantiomeric Excess Using Indicator-Displacement Assays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-12-20 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 (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-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 ALDH1A1 3162/4885MEN1 1926/4885KMT2A 1665/4885
US-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS PHOSPHO1, SGMS1, PLIN3 ALDH1A1 3500/4885MEN1 3607/4885KMT2A 3097/4885

“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.