SCHEMBL8445272

SCHEMBL8445272

Cn1nnc2ccc(CCl)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.48
KEAP1 Q14145 3/20 0.48
SLC6A4 P31645 1/20 0.44
CYP19A1 P11511 4/20 0.40
CYP11B1 P15538 1/20 0.40
HCAR3 P49019 1/20 0.39
HPGD P15428 2/20 0.37
NOTUM Q6P988 1/20 0.37
GRM4 Q14833 1/20 0.36
NSD2 O96028 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM2 Q14416 2/20 0.35
KMO O15229 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL29490311 1.00 SLC9A1 (0.48) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1
SCHEMBL3330921 0.86 HCAR3 (0.50) SLC9A1KEAP1HCAR3HPGDKDM4E
SCHEMBL12560105 0.84 SLC9A1 (0.50) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1
SCHEMBL1161111 0.82 KEAP1 (0.48) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1
SCHEMBL29975783 0.82 SLC9A1 (0.48) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1
SCHEMBL22862868 0.82 KEAP1 (0.48) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1
SCHEMBL282111 0.82 SLC9A1 (0.48) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1
SCHEMBL8828592 0.81 SLC9A1 (0.47) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1
SCHEMBL10130169 0.79 KEAP1 (0.46) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1
SCHEMBL8771320 0.79 SLC9A1 (0.46) SLC9A1KEAP1SLC6A4CYP19A1CYP11B1

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 7 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
EP-0641785-B1 TRIAZOLYLATED TERTIARY AMINE COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-10-27 EP disclosed
US-5674886-A AROMATASE INHIBITOR; BREAST CANCER; UROGENITAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-07 US disclosed
EP-0641785-A1 TRIAZOLYLATED TERTIARY AMINE COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-08 EP 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 SLC9A1 4345/4885KEAP1 2972/4885SLC6A4 4820/4885

“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.