SCHEMBL2218485

SCHEMBL2218485

Nc1ccc(-c2csc(C3CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 2/20 0.46
HPGDS O60760 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ALOX5 P09917 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LTA4H P09960 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL9984662 0.92 ATP4A (0.44) ATP4AATP4BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14320438 0.89 RAB9A (0.48) ATP4AATP4BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1287152 0.83 RAB9A (0.56) ATP4AATP4BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17183525 0.83 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2L3MBTL1GAAHPGDS
SCHEMBL14320286 0.81 BAZ2A (0.46) ATP4AATP4BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28730742 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1GAAHPGDS
SCHEMBL21774235 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1GAAHPGDS
SCHEMBL27402230 0.79 GAA (0.58) GAAKDM4EVCP
Cyanide SCHEMBL27913373 0.78 L3MBTL1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1GAAHPGDS
SCHEMBL21774252 0.76 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2L3MBTL1GAAHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 US disclosed
EP-2521451-A1 HEDGEHOG INHIBITORS Selexagen Therapeutics, Inc. (US) 2012-11-14 EP disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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-20130012513-A1 HEDGEHOG INHIBITORS SHH, SMO, GLI1 ATP4A 4309/4885ATP4B 4063/4885ALDH1A1 2913/4885

“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.