SCHEMBL10294849

SCHEMBL10294849

CCNc1cccc(C(=O)NCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.62
▸ HDAC6 Q9UBN7 2/20 0.62
▸ HDAC2 Q92769 1/20 0.62
▸ LMNA P02545 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.59
▸ GAA P10253 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ SIRT2 Q8IXJ6 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ POLB P06746 1/20 0.56
▸ ROCK2 O75116 7/20 0.56
▸ GRK2 P25098 7/20 0.56
▸ PRKCA P17252 1/20 0.56
▸ GRK5 P34947 1/20 0.56
▸ GRK3 P35626 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL10294658 0.88 MEN1 (0.54) LMNAMAPK1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13001971 0.85 HDAC6 (0.66) HDAC8HDAC6HDAC2LMNAMAPK1
SCHEMBL13702290 0.85 HDAC6 (0.74) HDAC8HDAC6HDAC2ALDH1A1GAA
SCHEMBL10294885 0.85 SMN1; SMN2 (0.51) HDAC8LMNAALDH1A1GAAHSD17B10
SCHEMBL11900328 0.83 HDAC6 (0.87) HDAC8HDAC6HDAC2ALDH1A1GAA
SCHEMBL1696365 0.82 HDAC6 (0.66) HDAC8HDAC6HDAC2ALDH1A1GAA
SCHEMBL16598155 0.82 HDAC6 (0.66) HDAC8HDAC6HDAC2LMNAMAPK1
SCHEMBL27952268 0.82 LMNA (0.70) HDAC8HDAC6HDAC2LMNAMAPK1
SCHEMBL14044800 0.82 HDAC2 (0.69) HDAC8HDAC6HDAC2ALDH1A1GAA
SCHEMBL10294868 0.81 L3MBTL1 (0.65) HDAC8LMNAALDH1A1GAASMN1; SMN2

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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 — — 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 HDAC8 390/4885HDAC6 18/4885HDAC2 165/4885

“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.

Send feedback