SCHEMBL1576771

SCHEMBL1576771

CCCCCCCCCCCC(N)C(N)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
CYP2D6 P10635 2/20 0.50
SPHK1 Q9NYA1 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
GMNN O75496 1/20 0.50
POLB P06746 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CETP P11597 1/20 0.50
HTT P42858 1/20 0.50
UBE2N P61088 1/20 0.50
LAP3 P28838 2/20 0.45
PLA2G1B P04054 1/20 0.45
PLA2G2A P14555 1/20 0.45

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
SCHEMBL10813760 1.00 OPRM1 (0.52) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL11088411 1.00 OPRM1 (0.52) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL10809566 1.00 OPRM1 (0.52) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL8075419 1.00 OPRM1 (0.52) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL10813214 1.00 OPRM1 (0.52) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL27309929 0.97 OPRM1 (0.50) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL11095199 0.97 OPRM1 (0.55) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL24017118 0.92 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL11454917 0.92 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL8934995 0.92 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215639-A1 Disinfectant with activity against hepatitis b virus AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2005-09-29 US claimed
EP-1511381-A1 DISINFECTANT WITH ACTIVITY AGAINST HEPATITIS B VIRUS Air Liquide Santé (International) (FR) 2005-03-09 EP claimed
WO-2003099006-A1 DISINFECTANT WITH ACTIVITY AGAINST HEPATITIS B VIRUS AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2003-12-04 WO claimed
EP-2901859-A1 Antimicrobially effective use solutions comprising combinations of isothiazolones and amines L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2015-08-05 EP disclosed
EP-2482664-B1 STORAGE-STABLE, SYNERGISTIC MICROBICIDAL CONCENTRATES CONTAINING AN ISOTHIAZOLONE, AN AMINE AND AN OXIDIZING AGENT AIR LIQUIDE (FR) 2015-03-18 EP disclosed
US-8765657-B2 Antimicrobially effective use solutions comprising combinations of isothiazolones and amines L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2014-07-01 US disclosed
US-8592358-B2 Storage-stable, synergistic microbicidal concentrates containing an isothiazolone, an amine and an oxidizing agent L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-26 US disclosed
EP-2482662-A1 ANTIMICROBIALLY EFFECTIVE USE SOLUTIONS COMPRISING COMBINATIONS OF ISOTHIAZOLONES AND AMINES L'Air Liquide (FR) 2012-08-08 EP disclosed
EP-2482664-A2 STORAGE-STABLE, SYNERGISTIC MICROBICIDAL CONCENTRATES CONTAINING AN ISOTHIAZOLONE, AN AMINE AND AN OXIDIZING AGENT L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2012-08-08 EP disclosed
US-20120189603-A1 STORAGE-STABLE, SYNERGISTIC MICROBICIDAL CONCENTRATES CONTAINING AN ISOTHIAZOLONE, AN AMINE AND AN OXIDIZING AGENT L"AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L' EXPLOITATION DES PROCEDES GEORGE (FR) 2012-07-26 US disclosed
US-20120172404-A1 ANTIMICROBIALLY EFFECTIVE USE SOLUTIONS COMPRISING COMBINATIONS OF ISOTHIAZOLONES AND AMINES L'Air Liquide Societe Anonyme Pour L'Etude Et L'Explotation Des Procedes George (FR) 2012-07-05 US disclosed
WO-2011039090-A1 ANTIMICROBIALLY EFFECTIVE USE SOLUTIONS COMPRISING COMBINATIONS OF ISOTHIAZOLONES AND AMINES L'AIR LIQUIDE (FR) 2011-04-07 WO disclosed
WO-2011039088-A2 STORAGE-STABLE MICROBICIDAL CONCENTRATES AND USE THEREOF AS PRESERVATIVES L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2011-04-07 WO disclosed
US-20050215639-A1 Disinfectant with activity against hepatitis b virus AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2005-09-29 US disclosed
EP-1511381-A1 DISINFECTANT WITH ACTIVITY AGAINST HEPATITIS B VIRUS Air Liquide Santé (International) (FR) 2005-03-09 EP disclosed
WO-2003099006-A1 DISINFECTANT WITH ACTIVITY AGAINST HEPATITIS B VIRUS AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2003-12-04 WO disclosed
US-5766273-A DISPERSANTS BASF AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-4663063-A OIL AND FUEL ADDITIVES THE LUBRIZOL CORPORATION (US) 1987-05-05 US disclosed
EP-0203969-A1 ALKYL PHENOL AND AMINO COMPOUND COMPOSITIONS AND TWO-CYCLE ENGINE OILS AND FUELS CONTAINING SAME. LUBRIZOL CORP (US) 1986-12-10 EP disclosed
WO-1986003220-A1 ALKYL PHENOL AND AMINO COMPOUND COMPOSITIONS AND TWO-CYCLE ENGINE OILS AND FUELS CONTAINING SAME THE LUBRIZOL CORPORATION (US) 1986-06-05 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 (2 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-20120172404-A1 ANTIMICROBIALLY EFFECTIVE USE SOLUTIONS COMPRISING COMBINATIONS OF ISOTHIAZOLONES AND AMINES AOC1, DDC, DAO OPRM1 1144/4885CYP2D6 577/4885SPHK1 1911/4885
US-20120189603-A1 STORAGE-STABLE, SYNERGISTIC MICROBICIDAL CONCENTRATES CONTAINING AN ISOTHIAZOLONE, AN AMINE AND AN OXIDIZING AGENT LPO, AOC3, MPO OPRM1 3186/4885CYP2D6 1716/4885SPHK1 1169/4885

“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.