SCHEMBL5452334

SCHEMBL5452334

CC(=O)Oc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ERN1 O75460 2/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.44
TLR9 Q9NR96 2/20 0.44
BACE1 P56817 2/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MMP14 P50281 1/20 0.42
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 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
SCHEMBL20958155 0.89 MEN1 (0.44) MAPTKDM4ECYP3A4ALDH1A1ALOX15
SCHEMBL13779864 0.88 MAPT (0.46) MAPTKDM4ECYP3A4ALDH1A1ALOX15
SCHEMBL20958154 0.88 MAPT (0.45) MAPTKDM4ECYP3A4ALDH1A1ALOX15
SCHEMBL6562723 0.87 KMT2A (0.43) MAPTKDM4ECYP3A4ALDH1A1KMT2A
SCHEMBL22522294 0.86 MAPT (0.42) MAPTKDM4ECYP3A4ALDH1A1ALOX15
SCHEMBL823830 0.82 ALDH1A1 (0.50) MAPTKDM4ECYP3A4ALDH1A1KMT2A
SCHEMBL8577525 0.82 KMT2A (0.44) MAPTKDM4ECYP3A4ALDH1A1ALOX15
SCHEMBL10846219 0.81 MAPT (0.45) MAPTKDM4ECYP3A4ALDH1A1ALOX15
SCHEMBL30766429 0.81 ALDH1A1 (0.60) MAPTKDM4ECYP3A4ALDH1A1ALOX15
SCHEMBL1161468 0.81 ALDH1A1 (0.60) MAPTKDM4ECYP3A4ALDH1A1ALOX15

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
US-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-12-18 US claimed
WO-2003099790-A1 PROCESS FOR THE PREPARATION OF 1,4-DIHYDROPYRIDINES AND NOVEL 1,4-DIHYDROPYRIDINES USEFUL AS THERAPEUTIC AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-12-04 WO claimed
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 US disclosed
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 US disclosed
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 US disclosed
US-20070066619-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity ARTESIAN THERAPEUTICS, INC. (US) 2007-03-22 US disclosed
US-20070066619-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity ARTESIAN THERAPEUTICS, INC. (US) 2007-03-22 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 WO disclosed
WO-2004033444-A1 DIHYDROPYRIDINE COMPOUNDS HAVING SIMULTANEOUS ABILITY TO BLOCK L-TYPE CALCIUM CHANNELS AND TO INHIBIT PHOSPHODIESTERASE TYPE 3 ACTIVITY ARTESIAN THERAPEUTICS, INC. (US) 2004-04-22 WO disclosed
EP-0996870-B1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY DU PONT (US) 2004-03-24 EP disclosed
US-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-12-18 US disclosed
US-6319648-B1 USED FOR IMAGING MATERIALS OF SEMICONDUCTOR DEVICE E. I. DU PONT DE NEMOURS AND COMPANY 2001-11-20 US disclosed
EP-0996870-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
WO-1999004319-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 WO disclosed
US-4268510-A DEMETHANIZATION, METABOLISM, RUMEN IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US disclosed
EP-0010348-A1 Heterocyclic trichloromethyl derivatives, process for their preparation and their use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 EP 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 (4 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-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents HRH4, ODC1, OGDH MAPT 1360/4885KDM4E 942/4885CYP3A4 112/4885
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B MAPT 1575/4885KDM4E 1928/4885CYP3A4 1067/4885
US-20070066619-A1 Compounds having simultaneous ability to block L-type calcium channels and to inhibit phosphodiesterase type 3 activity CACNA1C, PDE3A, PDE3B MAPT 2452/4885KDM4E 1728/4885CYP3A4 1569/4885
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase PDE3A, PDE4A, PDE3B MAPT 2619/4885KDM4E 3236/4885CYP3A4 2040/4885

“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.