SCHEMBL31488397

SCHEMBL31488397

COC(=O)c1ccccc1NC(=O)CC#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 5/20 1.00
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.73
TSHR P16473 3/20 0.59
MAPK10 P53779 2/20 0.59
POLB P06746 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 1/20 0.57
GAA P10253 3/20 0.56
BDKRB1 P46663 1/20 0.55
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL21972573 0.86 ALDH1A1 (0.76) HSD17B10KDM4EALDH1A1KMT2AMEN1
SCHEMBL5061957 0.86 ALDH1A1 (0.75) HSD17B10KDM4EALDH1A1KMT2AMEN1
SCHEMBL13384689 0.84 ALDH1A1 (0.73) HSD17B10KDM4EALDH1A1KMT2AMEN1
SCHEMBL10502377 0.84 KMT2A (1.00) HSD17B10KDM4EALDH1A1KMT2ATSHR
SCHEMBL5271531 0.84 ALDH1A1 (0.71) HSD17B10KDM4EALDH1A1KMT2AMEN1
SCHEMBL2605790 0.83 KDM4E (0.70) HSD17B10KDM4EALDH1A1KMT2AMEN1
SCHEMBL9442187 0.82 ALDH1A1 (0.68) HSD17B10KDM4EALDH1A1KMT2AMEN1
SCHEMBL14338571 0.81 ALDH1A1 (0.68) HSD17B10KDM4EALDH1A1KMT2AMEN1
SCHEMBL9958465 0.81 KMT2A (0.81) HSD17B10KDM4EALDH1A1KMT2ATSHR
SCHEMBL25389264 0.80 ALDH1A1 (0.67) HSD17B10KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115573-A1 PYRIDAZINE-BASED PYRIDINE DERIVATIVES AS BIOLOGICALLY ACTIVE AGENTS IMRAN MOHD (SA) 2025-04-10 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 (1 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-20250115573-A1 PYRIDAZINE-BASED PYRIDINE DERIVATIVES AS BIOLOGICALLY ACTIVE AGENTS HRH4, HRH3, CBR3 HSD17B10 2127/4885KDM4E 3361/4885ALDH1A1 3154/4885

“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.