SCHEMBL21801540

SCHEMBL21801540

Clc1ccc2[nH]c(-c3nnc(NCc4ccccc4)o3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 8/20 0.53
▸ CCNE1 P24864 8/20 0.53
▸ CDK2 P24941 8/20 0.53
▸ DBF4 Q9UBU7 8/20 0.53
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ QPCT Q16769 1/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.46
▸ ASIC3 Q9UHC3 1/20 0.43
▸ ATP4A P20648 1/20 0.41
▸ ATP4B P51164 1/20 0.41

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
SCHEMBL21801474 0.89 NPC1 (0.46) CDC7CCNE1CDK2DBF4KDM4E
SCHEMBL21801697 0.82 RAB9A (0.51) KDM4EALDH1A1MEN1NPC1LMNA
SCHEMBL21801500 0.77 CDC7 (0.50) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL21801526 0.75 CDC7 (0.48) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL5103657 0.75 CDC25B (0.52) KDM4EALDH1A1MEN1NPC1LMNA
SCHEMBL21801541 0.74 QPCT (0.47) KDM4EALDH1A1MEN1NPC1LMNA
SCHEMBL16157018 0.70 CDC7 (0.61) CDC7CCNE1CDK2DBF4KDM4E
SCHEMBL12506933 0.69 CDK2 (1.00) CDC7CCNE1CDK2DBF4QPCT
SCHEMBL20508261 0.68 RAB9A (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2EGFR
SCHEMBL13700955 0.68 KDM4E (0.54) KDM4EALDH1A1MEN1NPC1LMNA

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 CDC7 4106/4885CCNE1 3200/4885CDK2 1204/4885

“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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