SCHEMBL22862827

SCHEMBL22862827

Clc1ccccc1-c1c(C2CC2)ncn1Cc1ccc2ncn(C3CC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.40
▸ CYP11B2 P19099 6/20 0.40
▸ HTT P42858 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ NR1I2 O75469 3/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PDE2A O00408 1/20 0.35

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
SCHEMBL29490170 1.00 CYP11B1 (0.40) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL29490180 0.93 AKT1 (0.39) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22862829 0.93 AKT1 (0.39) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22862467 0.87 HTT (0.43) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22862437 0.82 CDK9 (0.40) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL22862544 0.81 PDE2A (0.41) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL29490210 0.78 POLB (0.49) HTTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL22862547 0.78 POLB (0.49) HTTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL22862932 0.76 RAD52 (0.32) DPP4
SCHEMBL24704178 0.74 HDAC1 (0.35) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1

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 CYP11B1 715/4885CYP11B2 935/4885HTT 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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