SCHEMBL1706554

SCHEMBL1706554

O=C(O)[CH]CN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BLM P54132 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL4703975 0.78 L3MBTL1 (0.45) CYP1A2MAPK1SMN1; SMN2CHRNB2CHRNB4
SCHEMBL2977139 0.76 BLM (0.41) CYP1A2MAPK1SMN1; SMN2BLMCHRNB2
SCHEMBL4322835 0.76 L3MBTL1 (0.48) CYP1A2MAPK1SMN1; SMN2CHRNB2CHRNB4
SCHEMBL2977137 0.76 BLM (0.41) CYP1A2MAPK1SMN1; SMN2BLMCHRNB2
SCHEMBL3765776 0.76 ALDH1A1 (0.46) CYP1A2MAPK1SMN1; SMN2CHRNB2CHRNB4
SCHEMBL24306 0.75 CYP1A2 (0.41) CYP1A2MAPK1SMN1; SMN2BLMCHRNB2
SCHEMBL2972244 0.75 CYP1A2 (0.41) CYP1A2MAPK1SMN1; SMN2BLMCHRNB2
Hydrochloric Acid SCHEMBL14636144 0.75 BLM (0.39) CYP1A2MAPK1SMN1; SMN2BLMCHRNB2
SCHEMBL2972245 0.75 CYP1A2 (0.41) CYP1A2MAPK1SMN1; SMN2BLMCHRNB2
SCHEMBL24305 0.75 CYP1A2 (0.41) CYP1A2MAPK1SMN1; SMN2BLMCHRNB2

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-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP disclosed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 CYP1A2 2539/4885MAPK1 3013/4885SMN1; SMN2 2428/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 CYP1A2 2539/4885MAPK1 3013/4885SMN1; SMN2 2428/4885

“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.