SCHEMBL22862859

SCHEMBL22862859

Cn1c(=O)n(C)c2cc(CC#N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ BRD4 O60885 2/20 0.44
▸ BRPF1 P55201 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL5836224 0.80 DRD2 (0.46) —
SCHEMBL22862558 0.78 POLB (0.54) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL12136691 0.78 RAB9A (0.57) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL29490252 0.78 POLB (0.54) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL9388512 0.77 POLB (0.53) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL22862551 0.77 POLB (0.53) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL29490174 0.77 POLB (0.53) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL327643 0.77 HPGD (0.45) CYP1A2L3MBTL1TSHRALDH1A1BRD4
SCHEMBL13156353 0.77 POLB (0.53) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1
Hydrochloric Acid SCHEMBL31737865 0.75 POLB (0.51) POLBSMN1; SMN2L3MBTL1TSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — US disclosed
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — WO 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 POLB 1716/4885CYP1A2 4295/4885SMN1; SMN2 2633/4885

“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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