SCHEMBL29808161

SCHEMBL29808161

Cc1ccnc(SCc2nc(C(C)(C)C)no2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL31494410 0.77 RAB9A (0.52) ALOX15KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29807808 0.76 TSHR (0.61) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29808205 0.76 ALOX15 (0.42) ALOX15KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29807963 0.74 ALOX15 (0.40) ALOX15KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29808248 0.74 NPC1 (0.46) ALOX15KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29808310 0.74 ALOX15 (0.40) ALOX15KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL31494372 0.70 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21889211 0.68 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL21338139 0.67 LMNA (0.53) ALOX15KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5695138 0.67 HSD17B10 (0.65) ALOX15KMT2ASMN1; SMN2NPC1RAB9A

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 ALOX15 111/4885KMT2A 3784/4885SMN1; SMN2 3576/4885

“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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