SCHEMBL1705485

SCHEMBL1705485

C[C](c1ncc[nH]1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.34
ADRA1A P35348 2/20 0.31
HTT P42858 1/20 0.31
TAAR1 Q96RJ0 2/20 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
SCHEMBL1706497 0.77 NPC1 (0.36) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2425503 0.76 KMT2A (0.45) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1765877 0.73
SCHEMBL11045929 0.72 JAK3 (0.47) NPC1RAB9AKMT2A
SCHEMBL7695257 0.72
SCHEMBL317174 0.70
SCHEMBL20742881 0.70
SCHEMBL98748 0.70
SCHEMBL6159271 0.70
SCHEMBL4255884 0.69 KMT2A (0.41) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US claimed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP claimed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
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 NPC1 506/4885RAB9A 3213/4885KMT2A 47/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 NPC1 506/4885RAB9A 3213/4885KMT2A 47/4885

“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.