SCHEMBL2343458

SCHEMBL2343458

O=Cc1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.58
▸ DRD1 P21728 3/20 0.51
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD5 P21918 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ MAOB P27338 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ ERN1 O75460 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TYR P14679 1/20 0.39
▸ NAT1 P18440 1/20 0.39

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
SCHEMBL1666926 0.84 DRD1 (0.60) CYP2A6DRD1DRD2DRD4DRD5
SCHEMBL29213631 0.84 CNR2 (0.46) CYP2A6DRD1DRD2DRD4DRD5
SCHEMBL29733602 0.82 DRD1 (0.58) CYP2A6DRD1DRD2DRD4DRD5
SCHEMBL29733609 0.82 DRD1 (0.58) CYP2A6DRD1DRD2DRD4DRD5
SCHEMBL35966 0.80 ALDH1A1 (0.59) CYP2A6DRD1DRD2DRD4DRD5
SCHEMBL27882659 0.79 CYP2A6 (0.58) CYP2A6HSD17B10MAOBALDH1A1ERN1
SCHEMBL8757864 0.79 CYP2A6 (0.58) CYP2A6DRD1HSD17B10MAOBALDH1A1
SCHEMBL4036224 0.79 CYP2A6 (0.52) CYP2A6ALDH1A1ERN1TNKS2SCN9A
Hydrogen Sulfide SCHEMBL27896687 0.78 ALDH1A1 (0.56) CYP2A6DRD1DRD2DRD4DRD5
SCHEMBL26122642 0.78 ALDH1A1 (0.57) CYP2A6HSD17B10ALDH1A1ERN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075480-A4 PURIFICATION OF CARBOXALDEHYDE LILLY CO ELI (US) 2002-01-23 — — EP claimed
EP-1075480-A1 PURIFICATION OF CARBOXALDEHYDE ELI LILLY AND COMPANY (US) 2001-02-14 — — EP claimed
WO-1999057123-A1 PURIFICATION OF CARBOXALDEHYDE ELI LILLY AND COMPANY (US) 1999-11-11 — — WO claimed
US-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 — — US disclosed
CN-107206050-A High-purity oritavancin and production method thereof 医药公司 2017-09-26 — — CN disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
CN-101413143-B Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST 2013-09-18 — — CN disclosed
CN-102105461-B Insecticidal phenyl- or pyridyl-piperidine compounds SYNGENTA PARTICIPATIONS AG 2013-07-10 — — CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 — — US disclosed
WO-2002057257-A1 CYCLO`C!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREFOR LES LABORATOIRES SERVIER (FR) 2002-07-25 — — WO disclosed
WO-2002057258-A1 CYCLO`D!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREOF LES LABORATOIRES SERVIER (FR) 2002-07-25 — — WO disclosed
EP-1225170-A2 Cycloheptene compounds, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier S.A. (FR) 2002-07-24 — — EP disclosed
WO-2002024649-A1 SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 — — WO disclosed
EP-1075480-A4 PURIFICATION OF CARBOXALDEHYDE LILLY CO ELI (US) 2002-01-23 — — EP disclosed
EP-1075480-A1 PURIFICATION OF CARBOXALDEHYDE ELI LILLY AND COMPANY (US) 2001-02-14 — — EP disclosed
WO-1999057123-A1 PURIFICATION OF CARBOXALDEHYDE ELI LILLY AND COMPANY (US) 1999-11-11 — — WO disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
US-3950427-A ANTIINFLAMMATORY, ANTIPYRETIC BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — 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 (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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK CYP2A6 268/4885DRD1 1536/4885DRD2 1408/4885
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B CYP2A6 2295/4885DRD1 2966/4885DRD2 2023/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 CYP2A6 2174/4885DRD1 3127/4885DRD2 2003/4885

“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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