SCHEMBL21653993

SCHEMBL21653993

CC(C)(C)/C=C/c1ccc(C#N)s1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 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
SCHEMBL21654322 0.74 MAPK1 (0.31) MAPK1KMT2A
SCHEMBL21320128 0.74
SCHEMBL21654043 0.72 MAPT (0.48) MAPK1KMT2A
SCHEMBL13508330 0.71 PTGS1 (0.46) MAPK1KMT2A
SCHEMBL20169770 0.71 MAPK1 (0.58) MAPK1KMT2A
SCHEMBL21654054 0.71 ALDH1A1 (0.47) MAPK1KMT2APGR
SCHEMBL9823542 0.70 MAPK1 (0.53) MAPK1KMT2A
SCHEMBL9823473 0.70 ALDH1A1 (0.35)
SCHEMBL1467949 0.70
SCHEMBL1680750 0.69 MAPT (0.34) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 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 (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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 MAPK1 4106/4885KMT2A 3643/4885PGR 4721/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 MAPK1 4106/4885KMT2A 3643/4885PGR 4721/4885

“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.