SCHEMBL12829397

SCHEMBL12829397

CC(C)(C)c1ccc2nc(NS(C)(=O)=O)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
LMNA P02545 1/20 0.68
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPT P10636 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAP3K5 Q99683 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.48
DYRK1A Q13627 1/20 0.48
CSNK1D P48730 2/20 0.47
CSNK1G2 P78368 1/20 0.47
KDR P35968 1/20 0.46
TEK Q02763 1/20 0.46
ACP1 P24666 1/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13762154 0.83 ALDH1A1 (0.57) LMNAALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL14113318 0.81 NPC1 (1.00) NPC1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL13762162 0.80 LDHA (0.52) NPC1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL14648829 0.79 CSNK1D (0.51) NPC1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL7028444 0.79 NPC1 (0.59) NPC1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL14451223 0.77 NPC1 (0.68) NPC1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL179544 0.77 DYRK1A (0.78) NPC1SMN1; SMN2MAP3K5RAB9ADYRK1A
SCHEMBL10189655 0.77 CSNK1D (0.49) NPC1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL10189473 0.77 CSNK1D (0.49) MAP3K5DYRK1ACSNK1DCSNK1G2ACP1
SCHEMBL14509001 0.76 NPC1 (0.66) NPC1LMNAALDH1A1HPGDSMN1; SMN2

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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 NPC1 2078/4885LMNA 2831/4885ALDH1A1 4739/4885

“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.