Sugi Predict

Sugi Predict / Compounds / SCHEMBL21357

SCHEMBL21357

SCHEMBL21357

CC(=O)Nc1cc[c]cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 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
SCHEMBL2894903 0.85 ALDH1A1 (0.46) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL10902371 0.83 CYP1A2 (0.34) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL5831442 0.82 ALDH1A1 (0.44) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL22683489 0.81 MDM4 (0.45) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL6205970 0.79 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL28297471 0.79 POLB (0.52) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL7399776 0.78 HDAC1 (0.46) CA1CA2CA9ALDH1A1KDM4E
SCHEMBL10803626 0.78 NPC1 (0.43) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL28048975 0.78 RXFP1 (0.46) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL9741131 0.77 ROCK2 (0.48) CA1CA2CA9ALDH1A1KDM4E

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 1057 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3201208-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-03-24 — — EP claimed
EP-3201207-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-02-24 — — EP claimed
EP-3201205-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2020-05-13 — — EP claimed
US-10640520-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2020-05-05 — — US claimed
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 — — US claimed
US-20180179231-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-06-28 — — US claimed
US-20180105538-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-19 — — US claimed
US-20180105539-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-19 — — US claimed
EP-3201205-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2017-08-09 — — EP claimed
EP-3201207-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2017-08-09 — — EP claimed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 — — US claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 — — EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 — — WO claimed
EP-0739342-B1 PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS MERCK & CO INC (US) 2003-08-27 — — EP claimed
US-5703100-A PSYCHOLOGICAL DISORDERS; COGNITION ACTIVATORS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS SIBIA NEUROSCIENCES, INC. (US) 1997-12-30 — — US claimed
US-5594011-A Modulators of acetylcholine receptors SIBIA NEUROSCIENCES, INC. (US) 1997-01-14 — — US claimed
US-4933442-A 1-(acetylaminophenyl)-2-aminopropanone derivatives and central nervous system antidepressant compositions LABORATOIRE L. LAFON (FR) 1990-06-12 — — US claimed
US-4877812-A 1-(acetylaminophenyl)-2-aminopropanone derivatives and antidepressant compositions thereof LABORATOIRE L. LAFON (FR) 1989-10-31 — — US claimed
EP-0138714-B1 1-(ACETYLAMINOPHENYL)-2-AMINO-PROPANONE DERIVATIVES, THEIR THERAPEUTICAL USE AND PROCESS FOR THEIR PREPARATION LABORATOIRE L. LAFON Société anonyme dite: (FR) 1987-05-20 — — EP claimed
US-4046757-A 2-Optionally substituted alkyl-and phenylsulfonylphenyl-azo-phenyl dyes and a process for their synthesis SANDOZ LTD. (CH) 1977-09-06 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20180105539-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 CA1 232/4885CA2 459/4885CA9 116/4885
US-20180179231-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 CA1 232/4885CA2 459/4885CA9 116/4885
US-20180105538-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 CA1 232/4885CA2 459/4885CA9 116/4885
US-10640520-B2 Boronic acid derivatives BCL9, BCL9L, BCL6 CA1 232/4885CA2 459/4885CA9 116/4885
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors PSMB7, PSMA7, PSMB11 CA1 587/4885CA2 1470/4885CA9 301/4885
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 CA1 2236/4885CA2 1158/4885CA9 2378/4885

“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.