SCHEMBL4893880

SCHEMBL4893880

O=C(O)Cn1cc(Br)ccc1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
POLB P06746 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
FPR2 P25090 1/20 0.37
RECQL P46063 2/20 0.36
GAA P10253 1/20 0.36
CASP6 P55212 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1B1 P15121 1/20 0.36
APEX1 P27695 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL20709926 0.83 KMT2A (0.47) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL3409817 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL24802532 0.79 NPC1 (0.60) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL13837793 0.79 PLK1 (0.48) ALDH1A1KDM4EPOLBMAPTKMT2A
Bromide SCHEMBL6524161 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL4591133 0.77 KDM4E (1.00) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL26111441 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL4244673 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL7478784 0.77 MAPT (0.62) ALDH1A1KDM4EPOLBMAPTNPC1
SCHEMBL118239 0.76 KMT2A (0.48) ALDH1A1KDM4EPOLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762377-B1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF UNIV CORNELL (US) 2025-08-20 EP disclosed
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof CORNELL UNIVERSITY (US) 2024-04-23 US disclosed
EP-3762377-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF Cook, Timothy, H. (US) 2021-01-13 EP disclosed
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-12-31 US disclosed
WO-2019173790-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF HLA TIMOTHY (US) 2019-09-12 WO disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 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 (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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET ALDH1A1 293/4885KDM4E 2602/4885POLB 1502/4885
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF PTGER1, LOXL1, COL1A1 ALDH1A1 421/4885KDM4E 2671/4885POLB 3175/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 ALDH1A1 421/4885KDM4E 2671/4885POLB 3175/4885

“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.