Sugi Predict

Sugi Predict / Compounds / SCHEMBL696250

SCHEMBL696250

SCHEMBL696250

O=C(O)c1c(Cl)cccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ DPP4 P27487 1/20 0.48
▸ PBRM1 Q86U86 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ FEN1 P39748 1/20 0.46
▸ FABP3 P05413 1/20 0.45
▸ FABP4 P15090 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ F2R P25116 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
Hydrochloric Acid SCHEMBL7952153 0.98 ALDH1A1 (0.50) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL570378 0.84 CA12 (0.52) ALDH1A1TSHRFABP4NPC1GLA
SCHEMBL80183 0.84 ALDH1A1 (0.64) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL2844436 0.83 ALDH1A1 (0.71) ALDH1A1TSHRFEN1NPC1GLA
SCHEMBL7425018 0.81 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
Hydrochloric Acid SCHEMBL8042412 0.81 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL1041643 0.81 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL793494 0.81 ALDH1A1 (0.50) ALDH1A1PBRM1TSHRFEN1NPC1
SCHEMBL8262560 0.81 ALDH1A1 (0.50) ALDH1A1TSHRFEN1NPC1GLA
SCHEMBL23908712 0.79 ALDH1A1 (0.58) ALDH1A1DPP4PBRM1TSHRFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003294-A New synthesis method of medical intermediate 2-bromo-6-chlorobenzonitrile 常州大学 2023-04-25 — — CN claimed
CN-114181076-A Preparation method of 2, 6-dihalogenated methyl benzoate 维思普新材料（苏州）有限公司 2022-03-15 — — CN claimed
CN-109757479-A Complex herbicidal composition and its preparation and application containing dicamba 山东润博生物科技有限公司 2019-05-17 — — CN claimed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO claimed
CN-114712348-B Application of indirubin-3' -oxime compound in preparation of antibacterial agent 贵州医科大学 2024-01-12 — — CN disclosed
CN-116375683-A Diazole derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-04 — — CN disclosed
CN-116003294-A New synthesis method of medical intermediate 2-bromo-6-chlorobenzonitrile 常州大学 2023-04-25 — — CN disclosed
CN-116003294-A New synthesis method of medical intermediate 2-bromo-6-chlorobenzonitrile 常州大学 2023-04-25 — — CN disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 — — US disclosed
CN-115160285-B Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-11-29 — — CN disclosed
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS BLADE THERAPEUTICS INC (US) 2022-11-03 — — US disclosed
CN-115160285-A Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-10-11 — — CN disclosed
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK SHARP & DOHME LLC 2003-11-27 — — US disclosed
US-20030220318-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 — — US disclosed
US-20030220268-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 — — US disclosed
WO-2003066577-A1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2003-08-14 — — WO disclosed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 — — EP disclosed
EP-1288205-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-03-05 — — EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (5 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-20030220318-A1 New phenylalanine derivatives VCAM1, PAH, ICAM1 ALDH1A1 2197/4885DPP4 258/4885PBRM1 627/4885
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 ALDH1A1 2718/4885DPP4 575/4885PBRM1 4789/4885
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B ALDH1A1 3102/4885DPP4 2181/4885PBRM1 964/4885
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives BDKRB1, BDKRB2, CNR2 ALDH1A1 3175/4885DPP4 1917/4885PBRM1 1660/4885
US-20030220268-A1 New phenylalanine derivatives ITGB4, ITGA4, ITGB3 ALDH1A1 1237/4885DPP4 42/4885PBRM1 1131/4885

“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.