SCHEMBL10113236

SCHEMBL10113236

CC(Cl)c1ccc(NCCCN)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.66
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
PKM P14618 1/20 0.49
PRSS1 P07477 3/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HCAR3 P49019 1/20 0.46

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
SCHEMBL29416813 0.80 KAT2B (1.00) KAT2BMAPTPOLBPKMPRSS1
SCHEMBL10113238 0.80 KAT2B (1.00) KAT2BMAPTPOLBPKMPRSS1
Hydrochloric Acid SCHEMBL513245 0.79 KAT2B (1.00) KAT2BMAPTPOLBPKMPRSS1
SCHEMBL10622798 0.78 KAT2B (0.72) KAT2BMAPTPOLBPKMPRSS1
SCHEMBL14756010 0.78 KAT2B (0.70) KAT2BMAPTPOLBPKMPRSS1
SCHEMBL15984907 0.77 KAT2B (0.97) KAT2BMAPTPOLBPKMPRSS1
SCHEMBL2467761 0.76 KAT2B (0.69) KAT2BMAPTPOLBPKMPRSS1
Hydrochloric Acid SCHEMBL513299 0.76 KAT2B (1.00) KAT2BMAPTPOLBPKMPRSS1
SCHEMBL15984903 0.75 KAT2B (0.79) KAT2BMAPTPOLBPKMPRSS1
SCHEMBL2228520 0.74 KAT2B (0.66) KAT2BMAPTPOLBPKMPRSS1

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-20120028912-A1 Methods of modulating bromodomains J.David Gladstone Institute 2012-02-02 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-20120028912-A1 Methods of modulating bromodomains BAZ2A, BRPF3, BRD3 KAT2B 37/4885MAPT 1884/4885POLB 1307/4885

“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.