SCHEMBL809030

SCHEMBL809030

O=C(O)CNc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 2/20 0.60
HIF1A Q16665 2/20 0.60
CYP3A4 P08684 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
MAPT P10636 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 5/20 0.52
PTPN7 P35236 1/20 0.51
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL11060114 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4
SCHEMBL11059512 0.98 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4
SCHEMBL11115807 0.84 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4
SCHEMBL16838612 0.84 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4
Hydrochloric Acid SCHEMBL809087 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4
SCHEMBL11059544 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4
SCHEMBL11654135 0.82 CYP1A2 (0.64) ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4
SCHEMBL808952 0.82 CYP2A6 (0.48) ALDH1A1CYP1A2MAPTRAB9ANPC1
SCHEMBL11051187 0.82 KMO (0.45) ALDH1A1CYP1A2MAPTRAB9ANPC1
SCHEMBL11064003 0.81 SNCA (0.60) ALDH1A1CYP1A2MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10159678-B2 Methods to decrease susceptibility to asthmatic bronchoconstriction CORNELL UNIVERSITY (US) 2018-12-25 US claimed
EP-1355638-B1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC (US) 2006-05-03 EP claimed
EP-1355638-A2 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES Magnesium Diagnostics, Inc. (US) 2003-10-29 EP claimed
US-6455734-B1 ADMINISTERING PHENYLGLYCINAMIDE(N-2,4-DIAMYLPENTANOIC ACID AMIDE) AS HYPOTENSIVE AGENTS FOR PROPHYLAXIS OF INSULIN RESISTANCE, ECLAMPSIA AND SENSITIVITY TO BLOOD METAL CONCENTRATIONS MAGNESIUM DIAGNOSTICS, INC. 2002-09-24 US claimed
WO-2002011714-A2 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS, INC. (US) 2002-02-14 WO claimed
US-11988661-B2 Rapid quantitative test to diagnose polycystic kidney disease UMC UTRECHT HOLDING, B.V. (NL) 2024-05-21 US disclosed
US-20210333266-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING, B.V. (NL) 2021-10-28 US disclosed
US-11035852-B2 Identifying drug candidates for treating polycystic kidney disease using organoids generated from primary cells UMC UTRECHT HOLDING, B.V. (NL) 2021-06-15 US disclosed
CN-109232396-B Amide pyridine derivative and application thereof 聊城大学 2020-07-03 CN disclosed
CN-109232396-A Amide pyridine derivatives and application thereof 聊城大学 2019-01-18 CN disclosed
US-10159678-B2 Methods to decrease susceptibility to asthmatic bronchoconstriction CORNELL UNIVERSITY (US) 2018-12-25 US disclosed
EP-3045912-B1 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING BV (NL) 2018-09-19 EP disclosed
EP-0848957-A1 Fas LIGAND SOLUBILIZATION INHIBITOR KANEBO LTD. (JP) 1998-06-24 EP disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO disclosed
EP-0254578-B1 ANTIBIOTIC INTERMEDIATES ELI LILLY AND COMPANY (US) 1993-09-08 EP disclosed
US-4772694-A Chiral 3-(1,2,5-trisubstituted imidazolidinone) azetidinone antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed
EP-0254578-A1 Antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-01-27 EP disclosed
US-4490370-A BACTERICIDES ELI LILLY AND COMPANY (US) 1984-12-25 US disclosed
EP-0122155-A2 Improvements in or relating to naphthylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed
US-4474780-A STABLE ELI LILLY AND COMPANY (US) 1984-10-02 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-10159678-B2 Methods to decrease susceptibility to asthmatic bronchoconstriction SMPD3, SMPD2, SMPD1 ALDH1A1 1906/4885CYP1A2 3422/4885CYP2C19 3599/4885

“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.