SCHEMBL29808136

SCHEMBL29808136

Cc1ccnc(SCCCc2nc(-c3ccccc3)no2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.50
▸ ATM Q13315 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPK1 P28482 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 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
SCHEMBL29807808 0.85 TSHR (0.61) TDP1L3MBTL1ATMALDH1A1NPC1
SCHEMBL29808217 0.85 L3MBTL1 (0.47) TDP1L3MBTL1ATMALDH1A1NPC1
SCHEMBL29808115 0.83 SMN1; SMN2 (0.49) TDP1L3MBTL1ATMALDH1A1NPC1
SCHEMBL31494416 0.82 RAB9A (0.54) TDP1L3MBTL1ATMALDH1A1NPC1
SCHEMBL31494429 0.73 ALDH1A1 (0.47) TDP1L3MBTL1ATMALDH1A1NPC1
SCHEMBL29808248 0.71 NPC1 (0.46) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL27218814 0.71 LMNA (0.55) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL27218694 0.70 HDAC1 (0.49) TDP1L3MBTL1ATMALDH1A1NPC1
SCHEMBL8564550 0.70 SIRT2 (0.72) TDP1L3MBTL1ATMALDH1A1NPC1
SCHEMBL14288613 0.69 RAB9A (0.70) TDP1L3MBTL1ATMALDH1A1NPC1

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 TDP1 4338/4885L3MBTL1 4316/4885ATM 4018/4885

“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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