SCHEMBL21333495

SCHEMBL21333495

Cc1cc(C(=O)CBr)c(C)n1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.73
TSHR P16473 5/20 0.64
S1PR2 O95136 4/20 0.64
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 3/20 0.59
KDM4E B2RXH2 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
KLKB1 P03952 4/20 0.55
KLK1 P06870 4/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 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
SCHEMBL21332768 0.87 ALDH1A1 (0.77) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL18054906 0.86 ALDH1A1 (0.61) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL8304416 0.84 NOTUM (1.00) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL18038971 0.80 NOTUM (0.64) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL17385567 0.79 SMN1; SMN2 (1.00) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL14886582 0.78 TSHR (1.00) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL18038980 0.78 S1PR2 (0.68) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL7806959 0.77 TSHR (0.67) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL21333146 0.77 S1PR2 (0.72) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL17503889 0.77 NOTUM (0.83) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2

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 5 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

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-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF PTGER1, LOXL1, COL1A1 NOTUM 4236/4885TSHR 4058/4885S1PR2 601/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 NOTUM 4236/4885TSHR 4058/4885S1PR2 601/4885

“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.