SCHEMBL2735321

SCHEMBL2735321

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccccc3s2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SCD O00767 1/20 0.53
GAA P10253 1/20 0.51
KMT2A Q03164 9/20 0.49
MEN1 O00255 8/20 0.49
MAPT P10636 7/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
HTT P42858 2/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL2735322 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2SCDGAA
SCHEMBL2759942 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL214147 0.79 GAA (0.51) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL2735315 0.77 GAA (0.51) SMN1; SMN2LMNAGAAKMT2AMEN1
SCHEMBL4105577 0.76 GAA (0.55) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL14222343 0.75 MAPT (0.50) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL216648 0.75 KMT2A (0.57) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL213157 0.75 MAPT (0.80) SMN1; SMN2LMNAGAAKMT2AMEN1
SCHEMBL2735324 0.75 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL214875 0.74 ALDH1A1 (0.60) RAB9ASMN1; SMN2LMNAGAAKMT2A

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NPC1 3307/4885RAB9A 2213/4885SMN1; SMN2 2516/4885

“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.