SCHEMBL837034

SCHEMBL837034

CCCCCCCCCN(/C(=N/CC/N=C(\NC(=N)N)N(CCCCCCCCC)c1ccccc1)NC(=N)N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 2/20 0.47
JAK2 O60674 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.37
ADRB2 P07550 1/20 0.37
TP53 P04637 3/20 0.35
GPX4 P36969 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
NAAA Q02083 2/20 0.33
KCNH2 Q12809 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL837035 1.00 NPC1 (0.47) NPC1RAB9APAX8JAK2MEN1
SCHEMBL835337 0.95 MEN1 (0.43) NPC1RAB9APAX8JAK2MEN1
SCHEMBL835336 0.95 MEN1 (0.43) NPC1RAB9APAX8JAK2MEN1
SCHEMBL27571662 0.93 NPC1 (0.41) NPC1RAB9APAX8JAK2MEN1
SCHEMBL27571661 0.90 MEN1 (0.43) NPC1RAB9APAX8JAK2MEN1
SCHEMBL3191188 0.87 MEN1 (0.39) NPC1RAB9APAX8JAK2MEN1
SCHEMBL1705232 0.87 MEN1 (0.39) NPC1RAB9APAX8JAK2MEN1
SCHEMBL1248768 0.85 MEN1 (0.39) NPC1RAB9APAX8JAK2MEN1
SCHEMBL2163503 0.85 MEN1 (0.39) NPC1RAB9APAX8JAK2MEN1
SCHEMBL7761053 0.85 NPC1 (0.36) NPC1RAB9APAX8JAK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174446-B1 A METHOD OF MANUAL SURFACE CLEANING USING CLEANING TEXTILES AND OF WASHING SAID CLEANING TEXTILES ECOLAB USA INC (US) 2019-01-30 EP disclosed
US-20170209016-A1 METHOD OF MANUAL SURFACE CLEANING USING CLEANING TEXTILES AND OF WASHING SAID CLEANING TEXTILES ECOLAB USA INC. 2017-07-27 US disclosed
EP-3174446-A1 A METHOD OF MANUAL SURFACE CLEANING USING CLEANING TEXTILES AND OF WASHING SAID CLEANING TEXTILES Ecolab USA Inc. (US) 2017-06-07 EP disclosed
EP-3083916-A1 DISINFECTANT COMPOSITION WITH EXCELLENT FOAM PROFILE AND CLEANING POWER Henkel AG & Co. KGaA (DE) 2016-10-26 EP disclosed
WO-2015091164-A1 DISINFECTANT COMPOSITION WITH EXCELLENT FOAM PROFILE AND CLEANING POWER HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed
WO-2015091163-A1 DISINFECTANT COMPOSITION WITH EXCELLENT FOAM PROFILE HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed
US-8143207-B2 Biocidal textile treatment agent HENKEL AG & CO. KGAA (DE) 2012-03-27 US disclosed
US-7985570-B2 Alkaline proteases and detergents and cleaners comprising these alkaline proteases B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK A.G. (DE) 2011-07-26 US disclosed
US-20100298198-A1 Alkaline Proteases and Detergents and Cleaners Comprising These Alkaline Proteases HENKEL KGAA (DE) 2010-11-25 US disclosed
US-7807616-B2 Geranonitrile substitute HENKEL AG & CO. KGAA (DE) 2010-10-05 US disclosed
US-20050113273-A1 Alkaline protease from bacillus gibsonii (DSM 14393) and washing and cleaning products comprising said alkaline protease HENKEL AG & CO. KGAA (DE) 2005-05-26 US disclosed
US-20050043198-A1 Alkaline protease from Bacillus sp. (DSM 14392) and washing and cleaning products comprising said alkaline protease HENKEL AG & CO. KGAA (DE) 2005-02-24 US disclosed
US-20050009167-A1 Alkaline protease from Bacillus sp. (DSM 14390) and washing and cleaning products comprising said alkaline protease HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-01-13 US disclosed
US-20050003504-A1 Alkaline protease from Bacillus gibsonii (DSM 14391) and washing and cleaning products comprising said alkaline protease HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-01-06 US disclosed
US-20050003985-A1 Alkaline protease variants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-01-06 US disclosed
US-20050003419-A1 Glycosyl hydrolases B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) 2005-01-06 US disclosed
US-20040087475-A1 Quaternary ammonium softener, polyethersiloxane spreading agent and silicone oil ironability enhancer; textile laundering; nonstaining HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-05-06 US disclosed
US-20040031107-A1 Cleaning material HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL HGAA) (DE) 2004-02-19 US disclosed
US-6569344-B1 Fabrics; water soluble wetting agent and a salt THE PROCTER & GAMBLE COMPANY 2003-05-27 US disclosed
US-20010031714-A1 Laundry, dishwashing or cleaning product detergent portions with controlled release of active substance HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2001-10-18 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 (6 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-20050009167-A1 Alkaline protease from Bacillus sp. (DSM 14390) and washing and cleaning products comprising said alkaline protease ANPEP, TMPRSS15, RNPEP NPC1 3835/4885RAB9A 3106/4885PAX8 4225/4885
US-20050043198-A1 Alkaline protease from Bacillus sp. (DSM 14392) and washing and cleaning products comprising said alkaline protease ANPEP, RNPEP, TMPRSS15 NPC1 3953/4885RAB9A 3414/4885PAX8 4004/4885
US-20050003419-A1 Glycosyl hydrolases AGL, ENGASE, UNG NPC1 1625/4885RAB9A 3339/4885PAX8 4324/4885
US-20050113273-A1 Alkaline protease from bacillus gibsonii (DSM 14393) and washing and cleaning products comprising said alkaline protease PRSS2, ALPI, GBA3 NPC1 4181/4885RAB9A 2921/4885PAX8 4243/4885
US-20050003504-A1 Alkaline protease from Bacillus gibsonii (DSM 14391) and washing and cleaning products comprising said alkaline protease ALPI, RNPEP, PRSS2 NPC1 4112/4885RAB9A 2325/4885PAX8 4303/4885
US-20050003985-A1 Alkaline protease variants LCT, TMPRSS11D, CTRL NPC1 3578/4885RAB9A 971/4885PAX8 4229/4885

“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.