SCHEMBL13015658

SCHEMBL13015658

CC(C)(C)C(=O)Nc1nc2c(s1)CCCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
RAB9A P51151 10/20 0.54
SMN1; SMN2 Q16637 10/20 0.54
NPC1 O15118 9/20 0.54
MAPT P10636 9/20 0.54
LMNA P02545 5/20 0.54
PKM P14618 4/20 0.54
NFKB1 P19838 4/20 0.54
NFKB2 Q00653 4/20 0.54
RELA Q04206 4/20 0.54
HSD17B10 Q99714 3/20 0.54
GAA P10253 3/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
CFTR P13569 2/20 0.54
TP53 P04637 7/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
HPGD P15428 2/20 0.53

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
SCHEMBL6999293 0.84 TSHR (0.61) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL15219102 0.82 TSHR (0.56) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL659214 0.82 TSHR (0.71) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1620050 0.81 TSHR (0.54) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL11924524 0.79 TSHR (0.63) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1620051 0.79 TSHR (0.52) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3658362 0.79 TSHR (0.52) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL13035816 0.79 TSHR (0.67) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7955024 0.79 TSHR (0.67) TSHRRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL24026375 0.78 PARP1 (0.67) TSHRRAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TSHR 876/4885RAB9A 2264/4885SMN1; SMN2 4442/4885

“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.