SCHEMBL22862993

SCHEMBL22862993

Cn1cnc2cc(Cn3cnc(-c4ccccc4)c3C3CC3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ CYP11B1 P15538 4/20 0.41
▸ CYP11B2 P19099 4/20 0.41
▸ NR1I2 O75469 3/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAD52 P43351 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ GFER P55789 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
SCHEMBL22862463 0.91 CYP11B1 (0.44) CYP11B1CYP11B2NR1I2LMNAHTT
SCHEMBL29490284 0.82 MAPK14 (0.42) LMNAHTTRAD52KDM4ESMN1; SMN2
SCHEMBL22862658 0.82 MAPK14 (0.37) SIGMAR1DRD4CYP11B1CYP11B2LMNA
SCHEMBL22862432 0.82 MAPK14 (0.42) LMNAHTTRAD52KDM4ESMN1; SMN2
SCHEMBL22862486 0.77 LMNA (0.37) CYP11B1CYP11B2GRM5LMNAHTT
SCHEMBL22862469 0.77 CYP11B1 (0.39) SIGMAR1CYP11B1CYP11B2NR1I2LMNA
SCHEMBL22862946 0.75 RAD52 (0.37) CYP11B1CYP11B2RAD52
SCHEMBL29490248 0.75 RAD52 (0.37) CYP11B1CYP11B2RAD52
SCHEMBL22862654 0.75 HDAC4 (0.39) SIGMAR1DRD4CYP11B1CYP11B2LMNA
SCHEMBL22862462 0.74 CYP11B1 (0.46) CYP11B1CYP11B2LMNAHTTRAD52

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 SIGMAR1 3942/4885DRD4 4762/4885CYP11B1 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.

Send feedback