SCHEMBL21534348

SCHEMBL21534348

CC1=CC(O)N(c2ncn[nH]2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAPDH P04406 1/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL20330547 0.81 ALDH1A1 (0.38) ALDH1A1GAPDHKMT2APOLBTDP1
SCHEMBL21534342 0.75 ALDH1A1 (0.41) ALDH1A1GAPDHKMT2APOLBTDP1
SCHEMBL21534394 0.73 ALDH1A1 (0.39) ALDH1A1GAPDHKMT2APOLBTDP1
SCHEMBL21534438 0.73 GAPDH (0.44) ALDH1A1GAPDHKMT2APOLBTDP1
SCHEMBL21534392 0.73 GAPDH (0.44) ALDH1A1GAPDHKMT2APOLBTDP1
SCHEMBL21534374 0.73 ALDH1A1 (0.39) ALDH1A1GAPDHKMT2APOLBTDP1
SCHEMBL21534344 0.72 KMT2A (0.42) ALDH1A1GAPDHKMT2APOLBTDP1
SCHEMBL20331352 0.72
SCHEMBL21534434 0.72 ALDH1A1 (0.38) ALDH1A1GAPDHKMT2APOLBTDP1
SCHEMBL21534375 0.71 ALDH1A1 (0.40) ALDH1A1GAPDHKMT2APOLBTDP1

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-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 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-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD ALDH1A1 215/4885GAPDH 97/4885KMT2A 872/4885

“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.