SCHEMBL1161111

SCHEMBL1161111

Cn1nnc2ccc(CO)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.48
SLC9A1 P19634 1/20 0.48
HCAR3 P49019 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP19A1 P11511 4/20 0.40
HPGD P15428 4/20 0.40
NOTUM Q6P988 1/20 0.40
NSD2 O96028 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP11B1 P15538 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
GRM4 Q14833 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1939333 0.86 HCAR3 (0.54) KEAP1SLC9A1HCAR3HPGDHSD17B10
SCHEMBL12560105 0.84 SLC9A1 (0.50) KEAP1SLC9A1HCAR3SLC6A4CYP19A1
SCHEMBL29975783 0.82 SLC9A1 (0.48) KEAP1SLC9A1HCAR3SLC6A4CYP19A1
SCHEMBL8445272 0.82 SLC9A1 (0.48) KEAP1SLC9A1HCAR3SLC6A4CYP19A1
SCHEMBL22862868 0.82 KEAP1 (0.48) KEAP1SLC9A1HCAR3SLC6A4CYP19A1
SCHEMBL29490311 0.82 SLC9A1 (0.48) KEAP1SLC9A1HCAR3SLC6A4CYP19A1
SCHEMBL282111 0.82 SLC9A1 (0.48) KEAP1SLC9A1HCAR3SLC6A4CYP19A1
SCHEMBL8828592 0.81 SLC9A1 (0.47) KEAP1SLC9A1HCAR3SLC6A4CYP19A1
SCHEMBL18724699 0.80 POLB (0.50) HSD17B10KDM4EALDH1A1POLB
SCHEMBL10130169 0.79 KEAP1 (0.46) KEAP1SLC9A1HCAR3SLC6A4CYP19A1

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 6 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
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
WO-1992022536-A1 VINYLIMIDAZOLES, VINYLTRIAZOLES AND VINYLTETRAZOLES WITH A BICYCLIC SUBSTITUENT GROUP SCHERING AKTIENGESELLSCHAFT, BERLIN UND BERGKAMEN (DE) 1992-12-23 WO disclosed
EP-0518457-A1 Bicyclic substituted vinylimidazoles, -triazoles and -tetrazoles SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-16 EP 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 KEAP1 2972/4885SLC9A1 4345/4885HCAR3 4367/4885

“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.