SCHEMBL17984980

SCHEMBL17984980

CCN(CC)CCCCNCc1cc(CNC(=O)OC=O)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 10/20 0.43
▸ KDM5C P41229 7/20 0.43
▸ CHRM2 P08172 2/20 0.38
▸ S1PR1 P21453 1/20 0.36
▸ KDM5A P29375 6/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ CXCR4 P61073 1/20 0.36
▸ KDM4A O75164 2/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ KDM5D Q9BY66 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ APP P05067 2/20 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
SCHEMBL16006899 0.84 KDM5B (0.45) KDM5BKDM5CCHRM2KDM5AKDM4C
SCHEMBL15994510 0.82 KDM5B (0.63) KDM5BKDM5CCHRM2S1PR1KDM5A
SCHEMBL16292934 0.81 CHRM2 (0.40) KDM5BKDM5CCHRM2S1PR1KDM5A
SCHEMBL16305469 0.81 KDM5B (0.43) KDM5BKDM5CCHRM2S1PR1KDM5A
SCHEMBL18880300 0.80 CHRM2 (0.42) KDM5BKDM5CCHRM2S1PR1KDM5A
SCHEMBL16292932 0.78 S1PR1 (0.40) KDM5BKDM5CCHRM2S1PR1KDM5A
SCHEMBL15994215 0.77 CHRM2 (0.42) KDM5BKDM5CCHRM2S1PR1KDM5A
SCHEMBL16291618 0.77 KDM5B (0.51) KDM5BKDM5CCHRM2S1PR1KDM5A
SCHEMBL15637200 0.77 KDM5B (0.58) KDM5BKDM5CCHRM2S1PR1KDM5A
SCHEMBL16006930 0.76 CHRM2 (0.41) KDM5BKDM5CCHRM2S1PR1KDM5A

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
CN-105263906-B The inhibitor of histone demethylase 吉利德科学公司 2018-11-23 — — CN disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — 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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM5B 27/4885KDM5C 16/4885CHRM2 3004/4885

“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.

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