SCHEMBL10076233

SCHEMBL10076233

CCc1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.70
HDAC2 Q92769 4/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC1 Q13547 6/20 0.69
LMNA P02545 1/20 0.69
RAB9A P51151 1/20 0.69
HDAC3 O15379 4/20 0.68
KDM4E B2RXH2 1/20 0.68
POLB P06746 1/20 0.68
TSHR P16473 1/20 0.68
RECQL P46063 1/20 0.68
PPARG P37231 2/20 0.67
APOBEC3A P31941 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.67
APOBEC3G Q9HC16 1/20 0.67
HPGD P15428 1/20 0.66
EPHX2 P34913 2/20 0.64
NR1H4 Q96RI1 1/20 0.64
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62

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
SCHEMBL11900090 0.89 HDAC6 (0.85) HDAC6HDAC2HDAC8HDAC1LMNA
Alcohol SCHEMBL8615549 0.86 HDAC6 (0.69) HDAC6HDAC2HDAC8HDAC1LMNA
SCHEMBL14422176 0.85 TAOK1 (0.73) HDAC6HDAC2HDAC8HDAC1LMNA
SCHEMBL457082 0.85 HDAC6 (0.79) HDAC6HDAC2HDAC8HDAC1LMNA
SCHEMBL4749069 0.85 KMT2A (0.74) HDAC6HDAC2HDAC8HDAC1LMNA
SCHEMBL8429875 0.85 LMNA (0.70) LMNARAB9APPARGEPHX2
SCHEMBL16589429 0.84 HDAC6 (0.72) HDAC6HDAC2HDAC8HDAC1LMNA
SCHEMBL178366 0.84 MAPK14 (0.75) HDAC6HDAC2HDAC8HDAC1LMNA
Propionic Acid SCHEMBL28207638 0.84 HDAC6 (0.67) HDAC6HDAC2HDAC8HDAC1LMNA
SCHEMBL16058342 0.84 HDAC6 (0.72) HDAC6HDAC2HDAC8HDAC1LMNA

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-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (3 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 HDAC6 416/4885HDAC2 430/4885HDAC8 1079/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 HDAC6 1744/4885HDAC2 2535/4885HDAC8 2093/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 HDAC6 943/4885HDAC2 843/4885HDAC8 2376/4885

“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.