SCHEMBL3711352

SCHEMBL3711352

CC(C)(C)c1ccc(C(=O)Nc2cc[c]cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
TRPV1 Q8NER1 5/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NR1H4 Q96RI1 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KCNK9 Q9NPC2 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
NAMPT P43490 1/20 0.57

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
SCHEMBL7303163 0.89 HDAC3 (0.86) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL4188342 0.85 NPC1 (0.52) HDAC3HDAC6HDAC11HDAC8NPC1
SCHEMBL28981388 0.84 SIRT1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17838656 0.84 TRPV1 (0.71) HDAC3HDAC6HDAC8TRPV1NPC1
SCHEMBL7641335 0.84 RAB9A (0.75) HDAC6NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4250752 0.84 KCNK9 (0.81) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL8564588 0.82 KCNK9 (0.60) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL23352874 0.82 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL10883881 0.82 CACNA1B (0.69) HDAC3HDAC6HDAC11HDAC8NPC1
SCHEMBL4131602 0.82 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1

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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US claimed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP claimed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 WO claimed
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US disclosed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP disclosed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 WO 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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR HDAC3 554/4885HDAC6 498/4885HDAC11 521/4885

“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.