SCHEMBL6097808

SCHEMBL6097808

Nc1[c]cccc1-c1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK10 P53779 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
ATM Q13315 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
BCHE P06276 1/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL6291686 0.78 NPC1 (0.53) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL1789932 0.75 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL30421864 0.74 MAPT (0.49) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL713066 0.73 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL29942654 0.72 NPC1 (0.63) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL29966674 0.72 NPC1 (0.63) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL29614829 0.72 NPC1 (0.63) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL3076524 0.72 NPC1 (0.63) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL9453979 0.70 ALDH1A1 (0.66) NPC1RAB9AMAPTALDH1A1MAPK10
SCHEMBL9797474 0.70 BCHE (0.58) NPC1RAB9AMAPTALDH1A1MAPK10

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-7115654-B2 Caspase-1 inhibitors and methods for their use SUNESIS PHARMACEUTICALS, INC. (US) 2006-10-03 US claimed
US-20040048895-A1 Caspase-1 inhibitors and methods for their use SUNESIS PHARMACEUTICALS, INC. 2004-03-11 US claimed
WO-2003103599-A2 CASPASE-1 INHIBITORS AND METHODS FOR THEIR USE SUNESIS PHARMACEUTICALS, INC. (US) 2003-12-18 WO claimed
US-7115654-B2 Caspase-1 inhibitors and methods for their use SUNESIS PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040048895-A1 Caspase-1 inhibitors and methods for their use SUNESIS PHARMACEUTICALS, INC. 2004-03-11 US disclosed
WO-2003103599-A2 CASPASE-1 INHIBITORS AND METHODS FOR THEIR USE SUNESIS PHARMACEUTICALS, INC. (US) 2003-12-18 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-20040048895-A1 Caspase-1 inhibitors and methods for their use CASP1, CASP2, CASP9 NPC1 1386/4885RAB9A 2474/4885MAPT 3782/4885

“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.