SCHEMBL29807971

SCHEMBL29807971

Cc1ccnc(SCc2ncc(-c3ccc(Cl)cc3)o2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
TSHR P16473 3/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 2/20 0.40
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL29807903 0.90 SMN1; SMN2 (0.51) NOTUMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL29807990 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL29807952 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL26424898 0.84 NOTUM (0.57) NOTUMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL30567828 0.82 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL26424635 0.82 NOTUM (0.52) NOTUMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL26424620 0.82 SMN1; SMN2 (0.49) NOTUMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL31494335 0.82 SMN1; SMN2 (0.49) NOTUMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL29808327 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL29808165 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDUSP2TSHR

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 1056/4885ALDH1A1 1197/4885SMN1; 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.