SCHEMBL22746567

SCHEMBL22746567

Cc1cc(=O)cc(C)n1CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.36
ADORA2B P29275 2/20 0.36
PDE4B Q07343 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 3/20 0.34
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CSNK2A1 P68400 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27634673 0.77 CYP1A2 (0.42) KDM4ELMNACYP1A2USP2MEN1
SCHEMBL21335574 0.67 TP53 (0.48) KDM4ECYP1A2USP2MEN1HPGD
SCHEMBL20786877 0.67 NPSR1 (0.40) KDM4ELMNACYP1A2USP2MEN1
SCHEMBL1103817 0.66 ALDH1A1 (0.40) KDM4ECYP1A2USP2MEN1HPGD
SCHEMBL26558903 0.64 CYP1A2 (0.39) LMNACYP1A2ALDH1A1ADORA2BPDE4B
SCHEMBL18927854 0.64 CYP1A2 (0.44) KDM4ELMNACYP1A2HPGDALDH1A1
SCHEMBL10289838 0.64 HTT (0.33)
SCHEMBL21032897 0.64 PRMT5 (0.42) KDM4ECYP1A2MEN1HPGDKMT2A
SCHEMBL15228318 0.63 CYP1A2 (0.40) KDM4ELMNACYP1A2MEN1KMT2A
SCHEMBL12652837 0.63 CSNK2A1 (0.39) KDM4ELMNACYP1A2MEN1KMT2A

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
EP-3777979-A1 ANTI-INFLAMMATORY COMPOUND AND PREPARATION AND USE THEREOF Vivavision Biotech, Inc. (CN) 2021-02-17 EP disclosed
US-20200377460-A1 ANTI-INFLAMMATORY COMPOUND, AND PREPARATION AND USE THEREOF VIVAVISION BIOTECH, INC. (CN) 2020-12-03 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-20200377460-A1 ANTI-INFLAMMATORY COMPOUND, AND PREPARATION AND USE THEREOF PDE4B, PDE4A, PDE7A KDM4E 468/4885LMNA 3960/4885CYP1A2 605/4885

“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.