Sugi Predict

Sugi Predict / Compounds / SCHEMBL3867296

SCHEMBL3867296

SCHEMBL3867296

Brc1ccc(-c2ccno2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.63
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GAA P10253 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ TOP1 P11387 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL9768763 0.88 NOTUM (0.77) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL9679859 0.79 NOTUM (0.65) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL2556889 0.77 RAB9A (0.65) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5544510 0.77 NOTUM (0.63) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL30238423 0.77 NOTUM (0.63) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL1187704 0.77 NOTUM (0.63) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL9189318 0.77 NOTUM (1.00) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL1351742 0.77 NOTUM (0.63) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL3991251 0.77 NOTUM (0.63) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL2307587 0.77 NOTUM (0.63) NOTUMCYP1A2CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 — — US claimed
EP-3928836-B1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-09-18 — — EP disclosed
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 — — US disclosed
CN-110483430-B Preparation method of isoxazole derivative 上海应用技术大学 2023-02-10 — — CN disclosed
EP-3377483-B9 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-03 — — EP disclosed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 — — US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 — — US disclosed
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 — — EP disclosed
EP-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 — — EP disclosed
CN-107922315-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2021-03-26 — — CN disclosed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 — — EP disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 — — US disclosed
US-5827869-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 — — WO disclosed
US-5612359-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 — — US disclosed
EP-0702012-A1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-20 — — EP disclosed
EP-0486782-B1 Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles AMERICAN CYANAMID CO (US) 1995-08-09 — — EP disclosed
EP-0486782-A1 Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles AMERICAN CYANAMID COMPANY (US) 1992-05-27 — — EP disclosed
US-5103015-A 5-(substituted)isoxazole compounds AMERICAN CYANAMID COMPANY (US) 1992-04-07 — — US disclosed
US-5059709-A Reacting substituted isoxazole with dialkylamide dimethylacetal; anxiolytic agents AMERICAN CYANAMID COMPANY (US) 1991-10-22 — — US 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 (4 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 NOTUM 4592/4885CYP1A2 4772/4885CYP2D6 4724/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 NOTUM 3451/4885CYP1A2 104/4885CYP2D6 243/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NOTUM 3451/4885CYP1A2 104/4885CYP2D6 243/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NOTUM 3451/4885CYP1A2 104/4885CYP2D6 243/4885

“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.