Sugi Predict

Sugi Predict / Compounds / SCHEMBL6895376

SCHEMBL6895376

SCHEMBL6895376

NC(=O)c1cc(C(=O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.57
▸ FOLH1 Q04609 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.50
▸ PARP2 Q9UGN5 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMPD1 P17405 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ EGFR P00533 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ SIRT2 Q8IXJ6 2/20 0.44

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
SCHEMBL4295650 0.91 FOLH1 (0.62) FOLH1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL17747100 0.86 SMN1; SMN2 (0.50) PARP1FOLH1NPC1HPGDRAB9A
SCHEMBL8356708 0.85 NPC1 (0.64) FOLH1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL969045 0.85 HPGD (0.55) FOLH1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL28979208 0.84 NPC1 (0.53) FOLH1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL321352 0.84 PARP1 (0.59) PARP1FOLH1NPC1HPGDRAB9A
SCHEMBL10864318 0.84 PARP1 (0.53) PARP1FOLH1NPC1HPGDRAB9A
SCHEMBL11750017 0.83 NPC1 (0.53) FOLH1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10865465 0.83 PARP1 (0.52) PARP1FOLH1NPC1HPGDRAB9A
SCHEMBL10604837 0.82 EGFR (0.65) FOLH1NPC1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0092787-B1 PROCESS FOR THE PREPARATION OF A PHENYLALKYLAMINOETHYLSALICYLAMIDE SCHERING CORPORATION (US) 1986-08-27 — — EP claimed
EP-0092787-A1 Process for the preparation of a phenylalkylaminoethylsalicylamide SCHERING CORPORATION (US) 1983-11-02 — — EP claimed
EP-0009702-A1 A phenylalkylaminoethylsalicylamide, its preparation and pharmaceutical compositions containing it SCHERING CORPORATION (US) 1980-04-16 — — EP claimed
EP-1317461-B1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORP (US) 2004-11-03 — — EP disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 — — US disclosed
EP-1317461-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2003-06-11 — — EP disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 — — US disclosed
US-6509472-B2 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols SCHERING CORPORATION 2003-01-21 — — US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 — — US disclosed
US-20020038053-A1 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols SCHERING CORPORATION 2002-03-28 — — US disclosed
WO-2002022623-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2002-03-21 — — WO disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 — — EP disclosed
US-4658060-A Preparation of (-)-5-(beta)-1-hydroxy-2-((beta)-1-methyl-3-phenylpropyl)aminoethyl) salicylamide SCHERING CORPORATION (US) 1987-04-14 — — US disclosed
US-4619919-A (1)-5-(R)-1-HYDROXY-2(R)-(1-METHYL-3-PHENYLPROPYL)AMINO)ETHYL) SALICYLAMIDE SCHERING CORPORATION (US) 1986-10-28 — — US disclosed
EP-0092787-B1 PROCESS FOR THE PREPARATION OF A PHENYLALKYLAMINOETHYLSALICYLAMIDE SCHERING CORPORATION (US) 1986-08-27 — — EP disclosed
EP-0092787-A1 Process for the preparation of a phenylalkylaminoethylsalicylamide SCHERING CORPORATION (US) 1983-11-02 — — EP disclosed
EP-0009702-B1 A PHENYLALKYLAMINOETHYLSALICYLAMIDE, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT SCHERING CORPORATION (US) 1981-11-04 — — EP disclosed
EP-0009702-A1 A phenylalkylaminoethylsalicylamide, its preparation and pharmaceutical compositions containing it SCHERING CORPORATION (US) 1980-04-16 — — EP disclosed
US-4163053-A Anti-hypertensive 5-[2-(substituted anilinoalkylamino)-1-hydroxyalkyl]salicylamides SCHERING CORPORATION (US) 1979-07-31 — — US disclosed
EP-0002867-A1 5-(2-Anilinoalkylamino-1-hydroxyalkyl)salicylamides, their preparation and anti-hypertensive compositions containing them Technobiotic Ltd. (CH) 1979-07-11 — — 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 (2 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 PARP1 2993/4885FOLH1 1321/4885NPC1 1172/4885
US-20020038053-A1 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols ADH5, ADH1A, ADH1C PARP1 623/4885FOLH1 936/4885NPC1 3474/4885

“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.