Sugi Predict

Sugi Predict / Compounds / SCHEMBL3289735

SCHEMBL3289735

SCHEMBL3289735

CC(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 3/20 0.49
▸ TAAR1 Q96RJ0 5/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC18A2 Q05940 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TRPA1 O75762 1/20 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
SCHEMBL11036512 1.00 CPA1 (0.49) CPA1TAAR1SLC6A2SIGMAR1MAOA
Piperazine SCHEMBL11433901 0.89 CPA1 (0.41) CPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL17548908 0.89 FAAH (0.43) CPA1TAAR1SLC6A2SLC6A3NPC1
SCHEMBL27972926 0.83 CPA1 (0.42) CPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL19395994 0.83 FAAH (0.51) MEN1KMT2A
SCHEMBL19396018 0.82 CA2 (0.39) TAAR1TP53MEN1KMT2A
SCHEMBL395680 0.80 LOXL2 (0.52) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL5878373 0.80 ACACB (0.40) TAAR1SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL27875599 0.79 NPC1 (0.46) CPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL187342 0.78 CPA1 (0.52) CPA1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59132895-A — — None — — JP disclosed
CN-115851778-B Thermophilic alkene reductase from aspergillus flavus, expression vector and application thereof 河南工业大学 2024-10-01 — — CN disclosed
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 — — CN disclosed
CN-117466742-A Method for synthesizing beta-nitroalcohol by using alcohol compound as initial raw material through one-pot method 扬州工业职业技术学院 2024-01-30 — — CN disclosed
CN-115851778-A Thermophilic alkene reductase from aspergillus flavus, expression vector and application thereof 河南工业大学 2023-03-28 — — CN disclosed
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 — — US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 — — EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 — — CN disclosed
CN-112961093-A Method for reducing C = C double bond of nitroolefin with high selectivity 北京化工大学 2021-06-15 — — CN disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 — — WO disclosed
CN-102559553-B Achromobacter and method for asymmetrically catalytically reducing carbon-carbon double bond CHENGDU INST BIOLOGY CAS 2013-06-05 — — CN disclosed
CN-102559553-A Achromobacter and method for asymmetrically catalytically reducing carbon-carbon double bond CHENGDU INST BIOLOGY CAS 2012-07-11 — — CN disclosed
US-7723065-B2 Conditions for reactions mediated by yeast VICTORIA UNIVERSITY (AU) 2010-05-25 — — US disclosed
US-7723065-B2 Conditions for reactions mediated by yeast VICTORIA UNIVERSITY (AU) 2010-05-25 — — US disclosed
US-7723065-B2 Conditions for reactions mediated by yeast VICTORIA UNIVERSITY (AU) 2010-05-25 — — US disclosed
US-20050084943-A1 New conditions for reactions mediated by yeast VICTORIA UNIVERSITY OF TECHNOLOGY (AU) 2005-04-21 — — US disclosed
CN-1040747-C N-substituting group-4-substituted benzyl-5-alkyl-5-substituted benzyl-pyrrolidone-2, and its intermediate, its synthetic method and its appliance KUNMING PLANT INST CHINESE ACA (CN) 1998-11-18 — — CN disclosed
CN-1120036-A N-substituting group-4-substituted benzyl-5-alkyl-5-substituted benzyl-pyrrolidone-2, and its intermediate, its synthetic method and its appliance KUNMING PLANT INST CHINESE ACA (CN) 1996-04-10 — — CN disclosed
EP-0142740-B1 N-substituted [bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1988-06-15 — — EP disclosed
JP-S59132895-A (S)-(+)-(2-NITROALKYL)BENZENE AND ITS PREPARATION SAGAMI CHEM RES CENTER 1984-07-31 — — JP 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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CPA1 1914/4885TAAR1 3984/4885SLC6A2 3810/4885

“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.