SCHEMBL29808115

SCHEMBL29808115

Cc1ccc(-c2noc(CCSc3nccc(C)n3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TDP1 Q9NUW8 6/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ TSHR P16473 3/20 0.48
▸ MAPT P10636 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL29808136 0.83 TDP1 (0.50) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL29807808 0.78 TSHR (0.61) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL27218808 0.74 RAB9A (0.50) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL29808248 0.73 NPC1 (0.46) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL16975850 0.72 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL10053485 0.72 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL27218707 0.72 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL29808217 0.71 L3MBTL1 (0.47) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL31494372 0.71 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL11920075 0.71 TDP1 (0.62) SMN1; SMN2NPC1RAB9AHTTLMNA

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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