SCHEMBL29808335

SCHEMBL29808335

Cc1ccnc(SCc2nnc(-c3ccccc3)s2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ ALOX15 P16050 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ QPCTL Q9NXS2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL31494442 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL5695138 0.77 HSD17B10 (0.65) SMN1; SMN2NPC1RAB9AALOX15LMNA
SCHEMBL29808208 0.72 HPGD (0.54) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL29808182 0.69 NOTUM (0.48) SMN1; SMN2NPC1RAB9AALOX15LMNA
SCHEMBL29807808 0.69 TSHR (0.61) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL29808087 0.69 KDM4E (0.49) SMN1; SMN2NPC1RAB9AALOX15MAPT
SCHEMBL21338139 0.68 LMNA (0.53) SMN1; SMN2NPC1RAB9AALOX15LMNA
Hydrochloric Acid SCHEMBL10565891 0.68 NPC1 (0.53) SMN1; SMN2NPC1RAB9AALOX15LMNA
SCHEMBL8402852 0.67 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AALOX15MAPT
SCHEMBL8363955 0.65 ALOX15 (0.66) SMN1; SMN2NPC1RAB9AALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 GBIOTECH S.À.R.L. (CH) 2022-09-01 — — 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 (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-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 FFAR2, FFAR1, FFAR3 SMN1; SMN2 3576/4885NPC1 2356/4885RAB9A 4503/4885

“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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