SCHEMBL560447

SCHEMBL560447

O=C(Nc1ccccc1)OCCOCC#CI

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RECQL P46063 1/20 0.55
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TP53 P04637 1/20 0.50
CHRNA7 P36544 1/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 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
SCHEMBL677537 0.86 KMT2A (0.54) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7157422 0.86 CHRM2 (0.51) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL17346621 0.83 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10596423 0.83 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL15741762 0.82 MEN1 (0.70) NPC1RAB9ASMN1; SMN2TSHRMEN1
Phenol SCHEMBL28476395 0.81 KMT2A (0.49) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL560448 0.80 CYP1A2 (0.45) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL15632838 0.79 MEN1 (0.54) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL11778697 0.77 NPC1 (0.64) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL3443629 0.76 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4176721-B1 BIOCIDAL POLYMER BLENDS LANXESS DEUTSCHLAND GMBH (DE) 2026-01-07 EP claimed
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2024-07-04 US claimed
EP-2413697-B1 STABILISATION OF COMPOUNDS CONTAINING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-08 EP claimed
US-20170215421-A1 BIOCIDE AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2017-08-03 US claimed
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP claimed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US claimed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9296878-B2 Fungicide formulations for plasticized PVC LANXESS DEUTSCHLAND GMBH (DE) 2016-03-29 US claimed
EP-2831161-B1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2015-11-18 EP claimed
EP-1981629-B1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2013-10-16 EP claimed
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds LANXESS DEUTSCHLAND GMBH (DE) 2012-12-06 US claimed
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2012-08-16 US claimed
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-26 US claimed
US-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-12 US claimed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US claimed
EP-1164850-B1 AQUEOUS FUNGICIDE DISPERSION AVECIA LTD (GB) 2003-06-25 EP claimed
US-6506794-B1 An aqueous dispersion comprising a halopropargyl compound and a partially hydrolysed polyvinyl alcohol. The aqueous dispersions are useful for inhibiting the growth of micro-organisms on or in a medium, especially an industrial AVECIA INC. 2003-01-14 US claimed
EP-1164850-A1 AQUEOUS FUNGICIDE DISPERSION Avecia Limited (GB) 2002-01-02 EP claimed
WO-2000057702-A1 AQUEOUS FUNGICIDE DISPERSION AVECIA LIMITED (GB) 2000-10-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 NPC1 160/4885RAB9A 1581/4885SMN1; SMN2 1710/4885
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION Q6ZSR9, PAM, ACMSD NPC1 2204/4885RAB9A 2726/4885SMN1; SMN2 3338/4885
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS SLCO4C1, SLCO1B3, ABCC3 NPC1 71/4885RAB9A 1482/4885SMN1; SMN2 2780/4885
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds TPO, BRD4, SSTR3 NPC1 1821/4885RAB9A 1300/4885SMN1; SMN2 4365/4885
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH NPC1 2100/4885RAB9A 129/4885SMN1; SMN2 2630/4885

“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.