SCHEMBL22862467

SCHEMBL22862467

Cn1cnc2ccc(Cn3cnc(C4CC4)c3-c3ccccc3Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP11B1 P15538 6/20 0.41
▸ CYP11B2 P19099 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DPP4 P27487 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ NR1I2 O75469 2/20 0.38
▸ PDE2A O00408 2/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL22862827 0.87 CYP11B1 (0.40) HTTLMNACYP11B1CYP11B2SMN1; SMN2
SCHEMBL29490170 0.87 CYP11B1 (0.40) HTTLMNACYP11B1CYP11B2SMN1; SMN2
SCHEMBL22862437 0.86 CDK9 (0.40) HTTLMNACYP11B1CYP11B2SMN1; SMN2
SCHEMBL22862462 0.85 CYP11B1 (0.46) HTTLMNACYP11B1CYP11B2SMN1; SMN2
SCHEMBL22862544 0.85 PDE2A (0.41) HTTLMNACYP11B1CYP11B2SMN1; SMN2
SCHEMBL22862469 0.84 CYP11B1 (0.39) HTTLMNACYP11B1CYP11B2SMN1; SMN2
SCHEMBL29490210 0.83 POLB (0.49) HTTLMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL22862547 0.83 POLB (0.49) HTTLMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL22862829 0.82 AKT1 (0.39) HTTLMNACYP11B1CYP11B2SMN1; SMN2
SCHEMBL29490180 0.82 AKT1 (0.39) HTTLMNACYP11B1CYP11B2SMN1; SMN2

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 3 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
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP 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 HTT 3627/4885LMNA 537/4885CYP11B1 715/4885

“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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