SCHEMBL2979002

SCHEMBL2979002

COC(=O)c1cnc(N2CCc3c(oc4ccccc34)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.43
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
OGA O60502 1/20 0.38
TNKS O95271 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MTHFD2 P13995 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL2981055 0.86 HDAC1 (0.55) HDAC1HDAC6
SCHEMBL2969790 0.77 TRPV1 (0.50) HDAC1KDM4EHDAC6
SCHEMBL2979003 0.77 RBP4 (0.41) HDAC1KMT2AMTHFD2MEN1
SCHEMBL2969834 0.77 HTR5A (0.44) HDAC1KMT2ANPC1RAB9AOGA
SCHEMBL2972415 0.77 KMT2A (0.40) KMT2ANPC1RAB9AOGAKDM4E
SCHEMBL2978467 0.73 HDAC1 (0.47) HDAC1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2978160 0.72 HDAC1 (0.53) HDAC1ALDH1A1HDAC6
SCHEMBL2971545 0.71 HDAC1 (0.40) HDAC1KMT2ANPC1RAB9AOGA
SCHEMBL6013769 0.69 SCN9A (0.37) HDAC1KMT2ANPC1RAB9AOGA
SCHEMBL2970402 0.69 BAZ2B (0.47) HDAC1KMT2ANPC1OGAKDM4E

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HDAC1 1/4885KMT2A 82/4885NPC1 2348/4885

“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.