Sugi Predict

Sugi Predict / Compounds / SCHEMBL1444744

SCHEMBL1444744

SCHEMBL1444744

NCCC#Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ THPO P40225 1/20 0.67
▸ BLM P54132 1/20 0.64
▸ PMP22 Q01453 1/20 0.64
▸ HTR2A P28223 1/20 0.50
▸ APP P05067 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.48
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ ASIC3 Q9UHC3 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
Hydrochloric Acid SCHEMBL9018599 0.98 BLM (0.68) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL10768214 0.85 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL7893024 0.85 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL7900688 0.83 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL17911731 0.80 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL2386 0.80 CYP2C19 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19THPO
Hydrochloric Acid SCHEMBL1321859 0.78 BLM (1.00) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL13598887 0.77 MAPK14 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5541163 0.76 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL9784179 0.76 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 — — US disclosed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
EP-4031531-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 — — CN disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 — — CN disclosed
EP-3455203-B1 VINYLOGOUS PHENETHYLAMINES AS NEUROTRANSMITTER RELEASERS RES TRIANGLE INST (US) 2021-09-22 — — EP disclosed
WO-2021055612-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 — — WO disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 — — WO disclosed
US-10576148-B2 Use of VAP-1 inhibitors for treating fibrotic conditions BIOTIE THERAPIES CORP. (FI) 2020-03-03 — — US disclosed
WO-2011029996-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP. (FI) 2011-03-17 — — WO disclosed
US-20080199933-A1 Amine Oxidase Inhibitors SAYRE LAWRENCE M 2008-08-21 — — US disclosed
US-20080199933-A1 Amine Oxidase Inhibitors SAYRE LAWRENCE M 2008-08-21 — — US disclosed
US-7084154-B2 2-(aminomethyl) arylamide analgesics PHARMACOPEIA DRUG DISCLOVERY, INC. (US) 2006-08-01 — — US disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 — — US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 — — WO disclosed
EP-1230218-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 — — EP disclosed
WO-2001032622-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 — — WO disclosed
EP-0705240-A1 NOVEL PROCESSES FOR PREPARING (S)-4-AMINO-HEPTA-5,6-DIENOIC ACID AND INTERMEDIATES THEREOF MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 — — EP disclosed
WO-1995000470-A1 NOVEL PROCESSES FOR PREPARING (S)-4-AMINO-HEPTA-5,6-DIENOIC ACID AND INTERMEDIATES THEREOF MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 — — 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-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 CYP1A2 2155/4885CYP3A4 1987/4885CYP2C9 1421/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 CYP1A2 2245/4885CYP3A4 1710/4885CYP2C9 1562/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 CYP1A2 18/4885CYP3A4 406/4885CYP2C9 112/4885

“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.