SCHEMBL21534434

SCHEMBL21534434

COC1=C(C)C(=O)N(c2ncn[nH]2)C1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAPDH P04406 1/20 0.37
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL21534342 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21534375 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21534438 0.81 GAPDH (0.44) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21534374 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21534392 0.75 GAPDH (0.44) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21534394 0.75 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21534347 0.74
SCHEMBL20331648 0.73 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21534396 0.72
SCHEMBL21534348 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EHPGDSMN1; 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 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 215/4885L3MBTL1 3699/4885KDM4E 893/4885

“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.