SCHEMBL3237303

SCHEMBL3237303

C[Si](C)(C)c1ccc(CNC(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.65
HDAC6 Q9UBN7 5/20 0.65
HDAC3 O15379 4/20 0.60
HDAC2 Q92769 4/20 0.57
HDAC8 Q9BY41 2/20 0.57
RAB9A P51151 2/20 0.56
LMNA P02545 1/20 0.56
ERCC1 P07992 1/20 0.56
ERCC4 Q92889 1/20 0.56
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
RECQL P46063 1/20 0.56
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55

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
SCHEMBL457082 0.82 HDAC6 (0.79) HDAC1HDAC6HDAC2HDAC8RAB9A
SCHEMBL9302673 0.81 MAPK14 (0.75) HDAC1HDAC6HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL3757721 0.81 HDAC6 (0.76) HDAC1HDAC6HDAC2HDAC8RAB9A
SCHEMBL29184442 0.81 HDAC6 (0.76) HDAC1HDAC6HDAC2HDAC8RAB9A
SCHEMBL9367216 0.80 HDAC1 (0.79) HDAC1HDAC6HDAC3HDAC2HDAC8
Alcohol SCHEMBL8615549 0.80 HDAC6 (0.69) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2062871 0.80 HDAC1 (0.73) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2777733 0.80 HDAC6 (0.72) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL10099575 0.80 NR1H4 (0.84) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12993420 0.79 RAB9A (0.88) HDAC1HDAC6HDAC3HDAC8RAB9A

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-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 HDAC1 226/4885HDAC6 255/4885HDAC3 140/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC HDAC1 715/4885HDAC6 1130/4885HDAC3 1095/4885

“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.