SCHEMBL18539751

SCHEMBL18539751

Cn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.57
USP2 O75604 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 2/20 0.55
GLA P06280 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 3/20 0.55
PKM P14618 2/20 0.55
PTK2B Q14289 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
GRM2 Q14416 2/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL23530752 0.82 NPSR1 (0.47) SMN1; SMN2GAAALDH1A1TSHRUSP2
SCHEMBL7745697 0.80 TSHR (0.64) SMN1; SMN2GAAALDH1A1TSHRUSP2
SCHEMBL243922 0.75 LMNA (0.61) SMN1; SMN2GAAUSP2KDM4EMAPT
SCHEMBL1059693 0.75 RAB9A (0.64) SMN1; SMN2GAAUSP2KDM4EMAPT
SCHEMBL5156990 0.74 GRM2 (0.81) SMN1; SMN2GAAALDH1A1KDM4EMAPT
SCHEMBL757031 0.73 RAB9A (0.62) SMN1; SMN2GAAALDH1A1TSHRUSP2
SCHEMBL30037937 0.73 RAB9A (0.62) SMN1; SMN2GAAALDH1A1TSHRUSP2
SCHEMBL9569938 0.72 HDAC6 (0.67) SMN1; SMN2GAAALDH1A1TSHRUSP2
SCHEMBL3874703 0.72 RAB9A (0.57) SMN1; SMN2GAAUSP2KDM4EMAPT
SCHEMBL14374007 0.72 GRM2 (0.72) SMN1; SMN2GAAALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 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-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC SMN1; SMN2 3829/4885GAA 2793/4885ALDH1A1 144/4885

“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.