SCHEMBL29527482

SCHEMBL29527482

Cc1nc2cc(-c3ccccc3)nn2c(C(C)(C)C)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.58
RAB9A P51151 10/20 0.58
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 4/20 0.58
NFKB1 P19838 1/20 0.58
HTT P42858 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
KDM4E B2RXH2 6/20 0.57
MAPT P10636 5/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 2/20 0.48
HCRTR1 O43613 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL13258606 0.83 NPC1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5052689 0.79 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL1665475 0.79 MAPT (0.63) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL18501695 0.78 NPC1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5270613 0.73 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL7067985 0.71 MAPT (0.74) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL7063800 0.71 RAB9A (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5055343 0.71 MAPT (0.60) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL1664978 0.71 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL15191540 0.70 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11278525-B1 Further molecules, compositions and methods for modulation of SIRT6 SirTLab Corporation (IL) 2022-03-22 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 (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-11278525-B1 Further molecules, compositions and methods for modulation of SIRT6 SIRT6, SIRT1, SIRT2 NPC1 1097/4885RAB9A 1219/4885ALDH1A1 1419/4885

“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.