SCHEMBL11988199

SCHEMBL11988199

CCCCNc1nccc(C(C)(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.52
MERTK Q12866 4/20 0.48
DNM2 P50570 2/20 0.48
TLR8 Q9NR97 2/20 0.46
MAPK8 P45983 1/20 0.45
PKM P14618 1/20 0.43
SYK P43405 1/20 0.43
PLK1 P53350 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
FLT3 P36888 3/20 0.40
TYRO3 Q06418 3/20 0.40
GAS6 Q14393 3/20 0.40
AXL P30530 2/20 0.40
PTGS2 P35354 1/20 0.40
PTGS1 P23219 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
SCHEMBL15181300 0.90 SYK (0.44) HRH4MERTKDNM2PKMSYK
SCHEMBL11988212 0.86 DNM2 (0.48) HRH4MERTKDNM2TLR8MAPK8
SCHEMBL11988630 0.83 EIF2AK2 (0.48) HRH4PKMSYKPLK1
SCHEMBL11988195 0.83 CCR4 (0.52) HRH4DNM2SYK
SCHEMBL11988196 0.80 CCR4 (0.49) DNM2PKMSYKPLK1CA1
SCHEMBL24650717 0.79 MKNK1 (0.48) PKMSYKPLK1
SCHEMBL12963477 0.79 PKM (0.57) HRH4TLR8PKMSYKPLK1
SCHEMBL13403107 0.78 HRH4 (0.56) HRH4MERTKDNM2TLR8MAPK8
SCHEMBL16844971 0.78 HRH4 (0.52) HRH4SYK
SCHEMBL19477219 0.78 DNM2 (0.71) HRH4MERTKDNM2TLR8MAPK8

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-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

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-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 HRH4 58/4885MERTK 4563/4885DNM2 4468/4885

“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.