SCHEMBL5046640

SCHEMBL5046640

NC(=O)/C=C/c1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ MAOB P27338 6/20 0.63
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ MAOA P21397 3/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP1A1 P04798 2/20 0.56
▸ CYP1B1 Q16678 2/20 0.56
▸ LMNA P02545 1/20 0.55
▸ GRIN1 Q05586 1/20 0.54
▸ GRIN2B Q13224 1/20 0.54
▸ MAPT P10636 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51

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
SCHEMBL2358452 1.00 CYP1A2 (0.73) CYP1A2CYP2C9MAOBMEN1KMT2A
SCHEMBL4398128 0.86 NPSR1 (0.55) CYP1A2CYP2C9MAOBSMN1; SMN2CYP2D6
SCHEMBL31553466 0.85 CYP1A2 (1.00) CYP1A2CYP2C9MAOBMEN1KMT2A
SCHEMBL5598566 0.85 CYP1A2 (1.00) CYP1A2CYP2C9MAOBMEN1KMT2A
SCHEMBL22596713 0.85 CYP1A2 (0.79) CYP1A2CYP2C9MAOBMEN1KMT2A
SCHEMBL5598564 0.85 CYP1A2 (1.00) CYP1A2CYP2C9MAOBMEN1KMT2A
3-Chloro-Cinnamic Acid SCHEMBL22396853 0.83 CYP1A2 (0.76) CYP1A2CYP2C9MAOBMEN1KMT2A
3-Chloro-Cinnamic Acid SCHEMBL79592 0.83 CYP1A2 (0.76) CYP1A2CYP2C9MAOBMEN1KMT2A
SCHEMBL1556592 0.83 CYP1A2 (0.76) CYP1A2CYP2C9MAOBMEN1KMT2A
3-Chloro-Cinnamic Acid SCHEMBL79591 0.83 CYP1A2 (0.76) CYP1A2CYP2C9MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1217943-C New use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2005-09-07 — — CN claimed
CN-1423651-A Novel use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2003-06-11 — — CN claimed
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 — — US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 — — CN disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
CN-109836383-B Method for preparing 3, 4-dihydroquinoline-2 (1H) -ketone compound 安徽理工大学 2022-04-19 — — CN disclosed
CN-104418762-B A kind of method from aldehyde synthesizing amide 南京理工大学 2016-12-28 — — CN disclosed
CN-104418682-B A kind of method from oxime synthesizing amide NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-23 — — CN disclosed
CN-104418762-A Method for synthesizing amides from aldehyde UNIV NANJING SCIENCE & TECH 2015-03-18 — — CN disclosed
CN-104418682-A Method for synthesizing amides from oxime UNIV NANJING SCIENCE & TECH 2015-03-18 — — CN disclosed
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
CN-1049224-C Polymers as alignment layer ROLIC AG (CH) 2000-02-09 — — CN disclosed
CN-1241176-A Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER (US) 2000-01-12 — — CN disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 — — EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 — — WO disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 — — WO disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — US disclosed
CN-1091458-A Polymkeric substance as oriented layer HOFFMANN LA ROCHE (CH) 1994-08-31 — — CN disclosed
US-4012377-A ANTIMICROBIAL, PARASITICIDES GLAXO LABORATORIES LIMITED (EN) 1977-03-15 — — 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 (1 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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CYP1A2 2901/4885CYP2C9 2202/4885MAOB 1691/4885

“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.

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