Sugi Predict

Sugi Predict / Compounds / SCHEMBL4459050

SCHEMBL4459050

SCHEMBL4459050

FC(F)(F)c1[c]c(Cl)n(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.41
▸ BRAF P15056 1/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ MAPT P10636 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34

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
SCHEMBL28595989 0.86 PTGS2 (0.46) PTGS1SMN1; SMN2MAPTLMNACYP1A2
SCHEMBL28591998 0.85 BRAF (0.40) PTGS1BRAFMAPTCYP2C9KDM4E
SCHEMBL28581887 0.85 PTGS2 (0.36) PTGS1BRAFLMNAKMT2AALDH1A1
SCHEMBL28586026 0.83 PTGS2 (0.36) PTGS1SMN1; SMN2MAPTLMNAHTT
SCHEMBL7042831 0.76 LMNA (0.42) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL4978131 0.67 PTGS1 (0.63) PTGS1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2064542 0.66 — —
SCHEMBL4969482 0.66 BRAF (0.40) PTGS1BRAFSMN1; SMN2MAPTLMNA
SCHEMBL13784459 0.64 BRAF (0.52) PTGS1BRAFSMN1; SMN2MAPTLMNA
SCHEMBL8952086 0.64 NR3C1 (0.43) PTGS1BRAFSMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117502129-A Green ecological planting method for tomatoes 凯盛浩丰农业集团有限公司 2024-02-06 — — CN claimed
CN-108864075-B Isothiazole bithiazole derivative and preparation method and application thereof 南开大学 2021-06-01 — — CN claimed
WO-2007147828-A1 HERBICIDAL COMPOSITIONS COMPRISING A 3-HETEROCYCLYL-SUBSTITUTED BENZOYL COMPOUND BASF SE (DE) 2007-12-27 — — WO claimed
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines ALTANA PHARMA AG (DE) 2007-12-13 — — US claimed
EP-1776361-A1 5-SUBSTITUTED 1H-PYRROLOÝ3,2-B¨PYRIDINES Altana Pharma AG (DE) 2007-04-25 — — EP claimed
WO-2006013195-A1 5-SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINES ALTANA PHARMA AG (DE) 2006-02-09 — — WO claimed
CN-117502129-A Green ecological planting method for tomatoes 凯盛浩丰农业集团有限公司 2024-02-06 — — CN disclosed
US-8889593-B2 Herbicidal compositions based on 3-phenyluracils and 3-sulfonylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2014-11-18 — — US disclosed
US-20090042727-A1 Herbicidal compositions based on 3-phenyluracils and 3-sulfonylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 — — US disclosed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 — — US disclosed
EP-1860945-B1 HERBICIDAL COMPOSITIONS BASED ON 3-PHENYLURACILS AND 3-SULFONYLISOXAZOLINES BASF SE (DE) 2008-10-08 — — EP disclosed
WO-2008074858-A1 INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF 5-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-06-26 — — WO disclosed
CN-100393720-C Cyclic benzimidazoles. ALTANA PHARMA AG (DE) 2008-06-11 — — CN disclosed
WO-2003091253-A1 NITROSATED IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-11-06 — — WO disclosed
WO-2003068774-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA PHARMA AG (DE) 2003-08-21 — — WO disclosed
EP-1332143-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA Pharma AG (DE) 2003-08-06 — — EP disclosed
WO-2003016310-A1 ALKYL-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA PHARMA AG (DE) 2003-02-27 — — WO disclosed
WO-2003014123-A1 TRICYCLIC IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-02-20 — — WO disclosed
WO-2003014119-A1 TRICYCLIC EPOXIDES ALTANA PHARMA AG (DE) 2003-02-20 — — WO disclosed
WO-2002034749-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2002-05-02 — — 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 (3 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-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC PTGS1 12/4885BRAF 4205/4885SMN1; SMN2 3521/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 PTGS1 373/4885BRAF 1076/4885SMN1; SMN2 3759/4885
US-20090042727-A1 Herbicidal compositions based on 3-phenyluracils and 3-sulfonylisoxazolines DPP7, DDT, DDX5 PTGS1 4308/4885BRAF 2417/4885SMN1; SMN2 1033/4885

“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.