SCHEMBL11988198

SCHEMBL11988198

CC(C)(C)c1ccnc(NCCN2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.50
HRH3 Q9Y5N1 3/20 0.46
CXCR4 P61073 1/20 0.46
HRH4 Q9H3N8 4/20 0.43
SYK P43405 1/20 0.39
NMT1 P30419 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL11988192 0.92 MKNK1 (0.60) MKNK1HRH3CXCR4HRH4
SCHEMBL11988194 0.82 HRH4 (0.53) MKNK1HRH3HRH4NMT1
SCHEMBL1089672 0.79 CXCR4 (0.72) MKNK1HRH3CXCR4HRH4
SCHEMBL15181300 0.76 SYK (0.44) HRH3HRH4SYKKDM4EALDH1A1
SCHEMBL9672230 0.76 HRH3 (0.54) MKNK1HRH3ALDH1A1ACHE
SCHEMBL28317564 0.74 ALDH1A1 (0.56) MKNK1HRH3ALDH1A1ACHE
SCHEMBL11988199 0.74 HRH4 (0.52) HRH4SYK
SCHEMBL2884298 0.74 HRH3 (0.47) MKNK1HRH3CXCR4KDM4EALDH1A1
SCHEMBL13039345 0.73 MKNK1 (0.51) MKNK1HRH3CXCR4SYKCCNA2
SCHEMBL24650717 0.73 MKNK1 (0.48) MKNK1SYKKDM4EALDH1A1HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 US disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 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 (2 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-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 MKNK1 3401/4885HRH3 32/4885CXCR4 2989/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 MKNK1 3475/4885HRH3 51/4885CXCR4 3499/4885

“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.