SCHEMBL1809316

SCHEMBL1809316

CCCC(C)C(N)(CC)C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MMP8 P22894 1/20 0.34
METAP1 P53582 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC1 Q13547 2/20 0.30
HDAC2 Q92769 2/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL1809322 0.70 ARG1 (0.41) HDAC8HDAC6HDAC7HDAC9HDAC5
SCHEMBL8727941 0.70 CHRM1 (0.41) HDAC8HDAC6HDAC7HDAC9HDAC5
SCHEMBL12506358 0.69 ARG1 (0.40) METAP1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL3973656 0.67 TAS1R3 (0.35) HDAC8HDAC6HDAC7HDAC9HDAC5
SCHEMBL28641293 0.66
SCHEMBL15231378 0.66 MEN1 (0.41) HDAC8HDAC6HDAC7HDAC9HDAC5
SCHEMBL28936397 0.66 CHRM1 (0.41) HDAC8HDAC6HDAC7HDAC9HDAC5
SCHEMBL20992174 0.66 TSHR (0.39) HDAC8HDAC6HDAC7HDAC9HDAC5
SCHEMBL14764492 0.66 ARG1 (0.33) METAP1HDAC1HDAC2CHRM1AKR1A1
Hydrochloric Acid SCHEMBL28829585 0.65 MMP8 (0.41) HDAC8HDAC6HDAC7HDAC9HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 HDAC8 2016/4885HDAC6 2208/4885HDAC7 1270/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 HDAC8 2618/4885HDAC6 1978/4885HDAC7 2009/4885

“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.