SCHEMBL6024439

SCHEMBL6024439

COc1ccc(C(=O)NCCO)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.75
RAB9A P51151 2/20 0.75
MMP13 P45452 1/20 0.69
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
HSD17B10 Q99714 1/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 2/20 0.60
POLB P06746 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
KMT2A Q03164 1/20 0.59
PLK1 P53350 1/20 0.59
SIGMAR1 Q99720 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL16685001 0.91 NPC1 (0.83) NPC1RAB9AHPGDSMN1; SMN2CA1
SCHEMBL4693371 0.88 ALDH1A1 (0.70) NPC1RAB9AMMP13HPGDSMN1; SMN2
SCHEMBL11761105 0.86 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2CA1
SCHEMBL14271589 0.86 NPC1 (0.75) NPC1RAB9AHPGDSMN1; SMN2CA1
SCHEMBL11759659 0.86 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2CA1
SCHEMBL11758269 0.86 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2CA1
SCHEMBL11754310 0.86 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2CA1
SCHEMBL11755990 0.86 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2CA1
SCHEMBL9489987 0.86 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2CA1
SCHEMBL6360344 0.86 NPC1 (0.75) NPC1RAB9AHPGDSMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030554-B1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP claimed
US-9770446-B2 Piperidine urea derivatives MERCK PATENT GMBH (DE) 2017-09-26 US claimed
US-20160184285-A1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US claimed
EP-3030554-A1 PIPERIDINE UREA DERIVATIVES Merck Patent GmbH (DE) 2016-06-15 EP claimed
WO-2015018475-A1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-12 WO claimed
EP-3030554-B1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
US-9770446-B2 Piperidine urea derivatives MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
US-20160184285-A1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
CN-105073725-A Pyrazolyl-ureas as kinase inhibitors RESPIVERT LTD 2015-11-18 CN disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO disclosed
US-6825338-B2 SELECTIVE FUNCTIONALIZATION OF OLIGONUCLEOTIDES WITH CONJUGATE GROUPS WITHOUT THE NEED FOR POST-SYNTHETIC LABELING; SOLID PHASE SYNTHESIS; DEBLOCKING AN ACID LABILE HYDROXYL GROUP AND REACTING WITH A PHOSPHORAMIDITE ISIS PHARMACEUTICALS, INC. 2004-11-30 US disclosed
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 US disclosed
EP-1379541-A1 LABELED OLIGONUCLEOTIDES, METHODS FOR MAKING SAME, AND COMPOUNDS USEFUL THEREFOR ISIS Pharmaceuticals, Inc. (US) 2004-01-14 EP disclosed
US-20030208061-A1 Labeled oligonucleotides, methods for making same, and compounds useful therefor ISIS PHARMACEUTICALS, INC. 2003-11-06 US disclosed
US-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed
WO-2002079216-A1 LABELED OLIGONUCLEOTIDES, METHODS FOR MAKING SAME, AND COMPOUNDS USEFUL THEREFOR ISIS PHARMACEUTICALS, INC. (US) 2002-10-10 WO disclosed
WO-2000056332-A1 SULTAMS: CATALYST SYSTEMS FOR ASYMMETRIC REDUCTION OF A C=N INTERMEDIATE BIOLOGICAL COMPOSITIONS AND METHODS FOR MAKING THE SULTAMS THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2000-09-28 WO disclosed
US-6121437-A SYNTHESIS OF OLIGONUCLEOTIDES USING OLIGONUCLEOTIDES OR NUCLEOTIDES WITH PROTECTED INTERNUCLEOSIDIC PHOSPHORUS FUNCTIONALITIES WHICH CAN BE REMOVED UNDER MILD CONDITIONS AND PRODUCE NONTOXIC BY-PRODUCTS ISIS PHARMACEUTICALS, INC. (US) 2000-09-19 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 (3 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-20030208061-A1 Labeled oligonucleotides, methods for making same, and compounds useful therefor METTL16, BCDIN3D, GARS1 NPC1 3108/4885RAB9A 4761/4885MMP13 4362/4885
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 NPC1 3884/4885RAB9A 4334/4885MMP13 3426/4885
US-20160184285-A1 PIPERIDINE UREA DERIVATIVES PRMT1, TNKS, PRMT3 NPC1 3643/4885RAB9A 2999/4885MMP13 2196/4885

“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.