SCHEMBL248635

SCHEMBL248635

Brc1nccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.56
CYP2A6 P11509 2/20 0.56
F12 P00748 1/20 0.56
NCF1 P14598 1/20 0.56
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
BACE1 P56817 1/20 0.56
PLG P00747 1/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP3A4 P08684 3/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 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
SCHEMBL30100779 1.00 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3
Ammonia Solution, Strong SCHEMBL28213835 0.98 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
Iodide SCHEMBL26934065 0.98 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
SCHEMBL27445665 0.94 CYP2A6 (0.55) PLAUCYP2A6F12NCF1NOS3
Bicarbonate SCHEMBL28387859 0.88 PLAU (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL28216191 0.87 PLAU (0.44) PLAUCYP2A6F12NCF1NOS3
Tetrahydrofuran SCHEMBL28212806 0.85 PLAU (0.43) PLAUCYP2A6F12NCF1NOS3
SCHEMBL21767613 0.83 CYP3A4 (0.61) PLAUCYP2A6F12NCF1NOS3
Isobutane SCHEMBL28383369 0.82 RAB9A (0.47) PLAUCYP2A6F12NCF1NOS3
Bicarbonate SCHEMBL29239049 0.81 CYP2A6 (0.43) PLAUCYP2A6F12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865932-B Preparation method of benzothiophene sulfone compound with medicinal and fluorescent activity BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2026-05-26 CN claimed
CN-119080696-B Preparation and application of multifunctional electroluminescent material with AIE property and reversible mechanochromism property 海南师范大学 2025-05-02 CN claimed
CN-119841818-A Carbazole derivative and preparation method and application thereof 福建理工大学 2025-04-18 CN claimed
CN-119080696-A Preparation and application of multifunctional electroluminescent material with AIE property and reversible mechanochromism property 海南师范大学 2024-12-06 CN claimed
CN-117865932-A Preparation method of benzothiophene sulfone compound with medicinal and fluorescent activity 北京化工大学 2024-04-12 CN claimed
CN-113292494-A Isoquinoline carboxylic acid compound and preparation method and application thereof 江苏苏中药业集团股份有限公司 2021-08-24 CN claimed
CN-112047884-A Synthesis method of 4-fluoroisoquinoline sulfate 沈阳市摩尔医药技术开发有限责任公司 2020-12-08 CN claimed
CN-105384767-B One kind is based on S, the polymer precursor monomer of S- dioxo-dibenzothiophene salt, polymer and the preparation method and application thereof 华南理工大学 2019-01-15 CN claimed
CN-108084090-A Synthetic method of brominated compound containing nitrogen heterocycle as drug intermediate 北京六合宁远科技有限公司 2018-05-29 CN claimed
CN-105669547-A Preparation method of 8-nitro-1,2,3,4-tetrahydroisoquinoline 苏州大学 2016-06-15 CN claimed
CN-102812014-B The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof DOMAIN THERAPEUTICS (FR) 2016-01-20 CN claimed
CN-102875465-A Method for preparing 7-bromoisoquinoline UNIV SHANGHAI 2013-01-16 CN claimed
CN-101928943-B Compound corrosion inhibitor for butyl rubber chloromethane glycol dehydrating regeneration system CHINA PETROLEUM & CHEMICAL 2013-01-16 CN claimed
CN-101928942-A Composite corrosion inhibitor of butyl rubber chloromethane glycol dehydration regeneration system CHINA PETROLEUM & CHEMICAL 2010-12-29 CN claimed
CN-101928943-A Compound corrosion inhibitor for butyl rubber chloromethane glycol dehydrating regeneration system CHINA PETROLEUM & CHEMICAL 2010-12-29 CN claimed
CN-117865932-B Preparation method of benzothiophene sulfone compound with medicinal and fluorescent activity BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2026-05-26 CN disclosed
US-20260085073-A1 PYRAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-03-26 US disclosed
US-4855420-A Cephalosporin derivatives ICI PHARMA (FR) 1989-08-08 US disclosed
US-4678781-A BACTERICIDAL ANTIBIOTICS ICI PHARMA (FR) 1987-07-07 US disclosed
US-4122180-A Isoquinolines and anti-depressants containing them MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-10-24 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-20260085073-A1 PYRAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL3 PLAU 4767/4885CYP2A6 707/4885F12 3873/4885

“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.