SCHEMBL29807963

SCHEMBL29807963

Cc1ccnc(SCc2nc(C3CCCC3)no2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 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
SCHEMBL29808310 0.98 ALOX15 (0.40) ALOX15CRBNNPC1RAB9ASMN1; SMN2
SCHEMBL29808205 0.95 ALOX15 (0.42) ALOX15CRBNNPC1RAB9ASMN1; SMN2
SCHEMBL27218791 0.80 RAB9A (0.48) ALOX15NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL31494451 0.77 RAB9A (0.48) ALOX15NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29808161 0.74 ALOX15 (0.43) ALOX15NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL27218745 0.74 RAB9A (0.50) ALOX15NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29807808 0.72 TSHR (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL31494372 0.71 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL29808248 0.71 NPC1 (0.46) ALOX15NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL19193199 0.70 POLB (0.44) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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 111/4885CRBN 4797/4885NPC1 2356/4885

“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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