SCHEMBL17984972

SCHEMBL17984972

COCCNCc1ccnc(CNCCC(CN)Cc2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.38
▸ KDM4A O75164 1/20 0.36
▸ KDM4B O94953 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ PDCD1 Q15116 1/20 0.34

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
SCHEMBL17984955 0.85 SIRT2 (0.39) ROCK1KDM4AKDM4BKDM5CKDM5B
SCHEMBL16292675 0.83 SIGMAR1 (0.41) ROCK1KDM4AKDM4BKDM5CKDM5B
SCHEMBL16292674 0.73 SIGMAR1 (0.53) KDM5BSIRT2
SCHEMBL556793 0.69 MEN1 (0.64) DRD4L3MBTL1MEN1KMT2APPARG
SCHEMBL16293032 0.68 SIRT2 (0.40) ROCK1KDM4AKDM4BKDM5CKDM5B
SCHEMBL28427317 0.68 MEN1 (0.43) DRD4MEN1KMT2A
SCHEMBL13450919 0.68 CHRM2 (0.62) L3MBTL1MEN1KMT2AALDH1A1ALOX15
Hydrochloric Acid SCHEMBL30321036 0.67 L3MBTL1 (0.64) DRD4L3MBTL1MEN1KMT2APPARG
SCHEMBL24708422 0.67 HTT (0.41) L3MBTL1MEN1KMT2AALDH1A1ALOX15
SCHEMBL15104527 0.67 L3MBTL1 (0.45) ROCK1DRD4L3MBTL1MEN1KMT2A

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-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 ROCK1 2362/4885KDM4A 20/4885KDM4B 52/4885

“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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