SCHEMBL21801473

SCHEMBL21801473

CCc1c(-c2nnc(SCc3ccc(F)cc3)o2)[nH]c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ QPCT Q16769 1/20 0.46
▸ RAB9A P51151 3/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TERT O14746 3/20 0.43
▸ LMNA P02545 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
SCHEMBL21801522 0.91 TDP1 (0.47) NPC1HPGDTDP1SMN1; SMN2RAB9A
SCHEMBL21801481 0.90 NPC1 (0.49) NPC1HPGDMAPK1TDP1SMN1; SMN2
SCHEMBL21801469 0.89 GSK3B (0.48) NPC1HPGDMAPK1HSD17B10TDP1
SCHEMBL24750117 0.81 GSK3B (0.45) NPC1HPGDMAPK1TDP1SMN1; SMN2
SCHEMBL21801494 0.79 MAPT (0.48) NPC1HPGDMAPK1TDP1SMN1; SMN2
SCHEMBL21801539 0.79 QPCT (0.47) NPC1HPGDMAPK1TDP1SMN1; SMN2
SCHEMBL21801468 0.78 QPCT (0.42) NPC1HPGDALDH1A1GSK3BQPCT
SCHEMBL21801466 0.78 MAPT (0.51) NPC1HPGDMAPK1TDP1SMN1; SMN2
SCHEMBL24750432 0.78 NPC1 (0.51) NPC1HPGDMAPK1TDP1SMN1; SMN2
SCHEMBL21801554 0.77 MAPT (0.52) NPC1MAPK1HSD17B10TDP1SMN1; SMN2

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 NPC1 504/4885HPGD 1456/4885MAPK1 2968/4885

“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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