SCHEMBL21889211

SCHEMBL21889211

Cc1nccc(Cc2nc(C(C)(C)C)no2)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ AOC3 Q16853 2/20 0.30
▸ PIK3CG P48736 1/20 0.30

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
SCHEMBL23590375 0.76 LMNA (0.35) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL803110 0.70 NUDT1 (0.34) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL10100319 0.68 NPC1 (0.38) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL29808161 0.68 ALOX15 (0.43) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL30481675 0.67 — —
SCHEMBL805491 0.67 — —
SCHEMBL8738333 0.66 PIK3CG (0.36) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL15945546 0.66 NPC1 (0.45) SMN1; SMN2NPC1RAB9AHTTPIK3CG
SCHEMBL20161132 0.66 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL506677 0.64 PIK3CG (0.35) SMN1; SMN2NPC1RAB9AHTTPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 — — US disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 — — US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 — — 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 (3 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 SMN1; SMN2 1539/4885NPC1 567/4885RAB9A 3567/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 SMN1; SMN2 1539/4885NPC1 567/4885RAB9A 3567/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 SMN1; SMN2 1539/4885NPC1 567/4885RAB9A 3567/4885

“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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