SCHEMBL21801481

SCHEMBL21801481

CCc1c(-c2nnc(SCc3ccccc3)o2)[nH]c2ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ EGFR P00533 5/20 0.47
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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) NPC1RAB9AMAPTLMNATDP1
SCHEMBL24750117 0.91 GSK3B (0.45) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21801473 0.90 NPC1 (0.46) NPC1RAB9ALMNATDP1HPGD
SCHEMBL21801539 0.88 QPCT (0.47) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21801469 0.88 GSK3B (0.48) NPC1RAB9AMAPTMEN1LMNA
SCHEMBL21801466 0.88 MAPT (0.51) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL24750432 0.88 NPC1 (0.51) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21801477 0.80 CDC7 (0.48) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL21801488 0.79 CNR1 (0.46) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21801494 0.79 MAPT (0.48) NPC1RAB9AMAPTMEN1LMNA

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 504/4885RAB9A 2969/4885MAPT 2269/4885

“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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