SCHEMBL29808182

SCHEMBL29808182

Cc1ccnc(SCc2noc(-c3ccccc3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.43
▸ IRS1 P35568 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NFKB1 P19838 1/20 0.40

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
SCHEMBL31494436 0.80 RAB9A (0.46) NOTUMSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29808208 0.77 HPGD (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL29808087 0.77 KDM4E (0.49) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL29807808 0.77 TSHR (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL11351553 0.76 L3MBTL1 (0.64) NOTUMSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5695138 0.74 HSD17B10 (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL11357489 0.71 HDAC8 (0.56) NOTUMSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11161665 0.71 NOTUM (0.54) NOTUMSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11152712 0.70 NOTUM (0.49) NOTUMSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29808335 0.69 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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 NOTUM 1056/4885SMN1; SMN2 3576/4885ALDH1A1 1197/4885

“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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