SCHEMBL12920437

SCHEMBL12920437

COC(=O)c1ccc(-c2nnc(-c3cc(C)c(C)c(C)c3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 6/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ATM Q13315 1/20 0.53
TP53 P04637 1/20 0.49
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46

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
SCHEMBL12920436 1.00 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL12920438 0.93 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL12918700 0.86 TDP1 (0.65) MAPTRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL12920435 0.85 KDM4E (0.52) MAPTRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL12920464 0.85 NPC1 (0.66) RAB9ASMN1; SMN2NPC1HPGDNFKB1
SCHEMBL12948034 0.84 KDM4E (0.51) MAPTRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL69515 0.83 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9422430 0.83 CA1 (0.65) MAPTRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL5202186 0.83 NPC1 (0.68) MAPTRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL12920433 0.82 HDAC6 (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E

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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 MAPT 834/4885RAB9A 3795/4885SMN1; SMN2 2957/4885

“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.