SCHEMBL12963052

SCHEMBL12963052

CCc1cc2c(c(=O)n1CC(=O)c1cccc(OC)c1)C(O)C(C)N2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CDYL2 Q8N8U2 7/20 0.45
▸ CDYL Q9Y232 6/20 0.45
▸ CDY1; CDY1B Q9Y6F8 6/20 0.45
▸ CBX7 O95931 5/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL14780911 0.86 CA12 (0.42) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL10314637 0.74 CDYL2 (0.52) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL1063569 0.71 CDYL2 (0.48) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL10314590 0.70 SMN1; SMN2 (0.48) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL1058048 0.69 SMN1; SMN2 (0.47) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL17677357 0.67 MAPT (0.49) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL733307 0.64 CES2 (0.67) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL10531109 0.63 MAPT (0.51) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL11248287 0.63 CES2 (0.69) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL30758862 0.63 CES2 (0.69) SMN1; SMN2NPC1MAPTRAB9AKDM4E

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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMN1; SMN2 3564/4885NPC1 610/4885MAPT 4789/4885

“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.

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