SCHEMBL22862548

SCHEMBL22862548

Cn1c(=O)n(C)c2cc(Cn3cnc(-c4ccccc4Cl)c3C3CC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ UBE2N P61088 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ DCTPP1 Q9H773 2/20 0.37
▸ ADORA2B P29275 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL29490287 1.00 POLB (0.45) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL29490281 0.89 SMN1; SMN2 (0.41) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862640 0.89 SMN1; SMN2 (0.41) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862432 0.86 MAPK14 (0.42) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL29490284 0.86 MAPK14 (0.42) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL29490210 0.84 POLB (0.49) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862547 0.84 POLB (0.49) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862771 0.84 CASR (0.38) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862469 0.83 CYP11B1 (0.39) SMN1; SMN2HTTLMNAMAPK1PDE2A
SCHEMBL22862545 0.83 PDE2A (0.41) POLBSMN1; SMN2HTTLMNADCTPP1

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 1716/4885SMN1; SMN2 2633/4885HTT 3627/4885

“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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