SCHEMBL9937270

SCHEMBL9937270

CCOC(=O)c1c(C)[nH]c2cccc(F)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 3/20 0.50
MAP3K5 Q99683 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 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
SCHEMBL9936699 0.83 GAA (0.53) NPC1RAB9AKMT2AGAACA12
SCHEMBL28175200 0.83 GAA (0.50) NPC1RAB9AKMT2AGAAMAP3K5
SCHEMBL31486096 0.82 NPC1 (0.46) NPC1RAB9AKMT2AGAAMAP3K5
SCHEMBL7271179 0.80 TUBB4A (0.45) NPC1RAB9AKMT2AGAASMN1; SMN2
SCHEMBL29952715 0.79 ALOX15 (0.53) NPC1RAB9AKMT2AGAASMN1; SMN2
SCHEMBL1996045 0.78 CA12 (0.66) NPC1RAB9AKMT2AGAACA12
SCHEMBL15175923 0.78 NPC1 (0.51) NPC1RAB9AKMT2AGAAMAP3K5
SCHEMBL13011361 0.77 KDM4E (0.50) NPC1RAB9AKMT2AGAAMAP3K5
SCHEMBL2885446 0.76 NR4A2 (0.71) RAB9AKMT2AGAASMN1; SMN2LMNA
SCHEMBL25943377 0.75 GAA (0.54) NPC1RAB9AKMT2AGAASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NPC1 2844/4885RAB9A 2855/4885KMT2A 3845/4885

“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.