SCHEMBL21333334

SCHEMBL21333334

Cc1nc(C(=O)CBr)c(C)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NOTUM Q6P988 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
TNF P01375 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 3/20 0.41
S1PR2 O95136 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL21333137 0.86 LMNA (0.41) ALDH1A1MAPK1KDM4ENPSR1SMN1; SMN2
SCHEMBL15997829 0.85 NOTUM (0.56) ALDH1A1MAPK1TSHRKDM4ENPSR1
SCHEMBL21333196 0.84 LMNA (0.59) ALDH1A1MAPK1TSHRKDM4ENPSR1
SCHEMBL15987314 0.79 TSHR (0.61) ALDH1A1MAPK1TSHRKDM4ESMN1; SMN2
SCHEMBL21333477 0.77 S1PR2 (0.49) ALDH1A1MAPK1TSHRKDM4ENPSR1
SCHEMBL21333083 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1TSHRKDM4ENPSR1
SCHEMBL21333495 0.75 NOTUM (0.73) ALDH1A1TSHRKDM4ENOTUMSMN1; SMN2
SCHEMBL21332831 0.74 HPGD (0.54) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL11151151 0.73 ALDH1A1 (0.59) ALDH1A1MAPK1TSHRKDM4ENPSR1
SCHEMBL21332975 0.72 POLB (0.44) ALDH1A1MAPK1TSHRKDM4ENPSR1

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 ALDH1A1 421/4885MAPK1 197/4885TSHR 4058/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 ALDH1A1 421/4885MAPK1 197/4885TSHR 4058/4885

“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.