SCHEMBL21801697

SCHEMBL21801697

Clc1ccc2[nH]c(-c3nnc(Nc4ccccc4)o3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ GSK3B P49841 10/20 0.49
▸ BCL2 P10415 1/20 0.47
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ QPCT Q16769 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PTGS2 P35354 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
SCHEMBL21801541 0.88 QPCT (0.47) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL21801540 0.82 CDC7 (0.53) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL21801474 0.81 NPC1 (0.46) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL21801499 0.75 BCL2 (0.50) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL21801464 0.73 BCL2 (0.47) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL27837901 0.70 GSK3B (0.78) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL13700955 0.70 KDM4E (0.54) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL6117859 0.69 MEN1 (1.00) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL30578675 0.69 KDM4E (0.40) RAB9AKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL20508275 0.69 RAB9A (0.65) RAB9AKDM4ENPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-08-18 — — US disclosed
WO-2020051707-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-03-19 — — WO 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-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE CNR2, GPR119, CNR1 RAB9A 2969/4885KDM4E 3057/4885NPC1 504/4885

“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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