Sugi Predict

Sugi Predict / Compounds / SCHEMBL282111

SCHEMBL282111

SCHEMBL282111

Cn1nnc2ccc(CBr)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 4/20 0.48
▸ KEAP1 Q14145 3/20 0.48
▸ SLC6A4 P31645 1/20 0.42
▸ HCAR3 P49019 1/20 0.39
▸ CYP19A1 P11511 4/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL27661677 0.86 KEAP1 (0.46) SLC9A1KEAP1SLC6A4HCAR3CYP19A1
SCHEMBL478164 0.86 HCAR3 (0.50) SLC9A1KEAP1HCAR3HPGDKDM4E
SCHEMBL12560105 0.84 SLC9A1 (0.50) SLC9A1KEAP1SLC6A4HCAR3CYP19A1
SCHEMBL1161111 0.82 KEAP1 (0.48) SLC9A1KEAP1SLC6A4HCAR3CYP19A1
SCHEMBL22862868 0.82 KEAP1 (0.48) SLC9A1KEAP1SLC6A4HCAR3CYP19A1
SCHEMBL8445272 0.82 SLC9A1 (0.48) SLC9A1KEAP1SLC6A4HCAR3CYP19A1
SCHEMBL8828592 0.81 SLC9A1 (0.47) SLC9A1KEAP1SLC6A4HCAR3CYP19A1
SCHEMBL10130169 0.79 KEAP1 (0.46) SLC9A1KEAP1SLC6A4HCAR3CYP19A1
SCHEMBL8771320 0.79 SLC9A1 (0.46) SLC9A1KEAP1SLC6A4HCAR3CYP19A1
SCHEMBL1161406 0.76 SLC9A1 (0.53) SLC9A1KEAP1HCAR3CYP19A1CYP11B1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858918-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2024-01-02 — — US disclosed
US-11858918-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2024-01-02 — — US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 — — US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 — — US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 — — US disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 — — US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 — — US disclosed
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 — — US disclosed
WO-2006110917-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-19 — — WO disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 — — EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 — — US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 — — WO disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 — — EP disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 — — US disclosed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 — — 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 (8 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB SLC9A1 1656/4885KEAP1 287/4885SLC6A4 3822/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB SLC9A1 1656/4885KEAP1 287/4885SLC6A4 3822/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 SLC9A1 2349/4885KEAP1 2984/4885SLC6A4 1749/4885
US-11858918-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 SLC9A1 501/4885KEAP1 3378/4885SLC6A4 1598/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A SLC9A1 365/4885KEAP1 1135/4885SLC6A4 339/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB SLC9A1 1656/4885KEAP1 287/4885SLC6A4 3822/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB SLC9A1 1656/4885KEAP1 287/4885SLC6A4 3822/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 SLC9A1 2349/4885KEAP1 2984/4885SLC6A4 1749/4885

“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.