SCHEMBL19129573

SCHEMBL19129573

COc1ccc(Nc2nnc(CO)s2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 5/20 0.47
TP53 P04637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GLS O94925 2/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12595552 0.81 GLS (0.46) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL12595539 0.79 MAPT (0.54) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL12595538 0.77 GLS (0.40) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL12595555 0.77 NPC1 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL12595553 0.73 NPC1 (0.35) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL11013247 0.66 NPC1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL15748892 0.65 MAPT (0.54) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL20340816 0.64 GSK3B (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL12866599 0.63 LMNA (0.41) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL10855864 0.63 IDO1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MEN1

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-20170204091-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR DEVICES LIGHTWAVE LOGIC INC (US) 2017-07-20 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-20170204091-A1 TRICYCLIC SPACER SYSTEMS FOR NONLINEAR DEVICES CCND3, CCNY, CCND2 SMN1; SMN2 4453/4885NPC1 2641/4885RAB9A 4274/4885

“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.