SCHEMBL8401917

SCHEMBL8401917

CCC(=O)N1CCc2c([nH]c3ccc(OC)cc23)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.64
KDR P35968 3/20 0.58
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
TRPV1 Q8NER1 3/20 0.54
CFTR P13569 3/20 0.54
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
RECQL P46063 1/20 0.53
PMP22 Q01453 1/20 0.53
USP2 O75604 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL8036170 0.87 BAZ2B (0.82) BAZ2BKDRHDAC1HDAC6TRPV1
SCHEMBL5372790 0.87 BAZ2B (0.67) BAZ2BKDRHDAC1HDAC6TRPV1
SCHEMBL14521748 0.85 BAZ2B (0.65) BAZ2BKDRHDAC1HDAC6TRPV1
SCHEMBL8111047 0.84 BAZ2B (0.64) BAZ2BKDRHDAC1HDAC6TRPV1
SCHEMBL17037446 0.83 BAZ2B (0.62) BAZ2BKDRHDAC1HDAC6TRPV1
SCHEMBL8243500 0.83 HDAC1 (0.71) BAZ2BKDRHDAC1HDAC6TRPV1
SCHEMBL21588257 0.82 BAZ2B (0.61) BAZ2BKDRHDAC1HDAC6TRPV1
SCHEMBL20882095 0.81 GPX4 (0.77) BAZ2BHDAC1HDAC6TRPV1CDK4
SCHEMBL997329 0.79 TRPV1 (0.67) BAZ2BKDRTRPV1
SCHEMBL12868564 0.79 LMNA (0.78) BAZ2BKDRCFTRCYP1A2CYP2D6

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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 BAZ2B 49/4885KDR 4540/4885HDAC1 1/4885

“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.