SCHEMBL6546014

SCHEMBL6546014

[CH2]CNC(=O)c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.68
NPC1 O15118 6/20 0.67
RAB9A P51151 5/20 0.67
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
PLK1 P53350 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.55
F10 P00742 1/20 0.54

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
SCHEMBL10972044 0.86 NPC1 (0.73) PKMNPC1RAB9ACA1CA2
SCHEMBL16685001 0.85 NPC1 (0.83) PKMNPC1RAB9ACA1CA2
SCHEMBL10576894 0.83 MAPT (0.63) PKMNPC1RAB9ACA1CA2
SCHEMBL8598019 0.83 NPC1 (0.69) PKMNPC1RAB9ACA1CA2
SCHEMBL4155602 0.83 NPC1 (0.69) PKMNPC1RAB9ACA1CA2
SCHEMBL6500947 0.81 KDM4E (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11370186 0.81 NPC1 (0.67) PKMNPC1RAB9ACA1CA2
SCHEMBL13113851 0.81 PKM (1.00) PKMNPC1RAB9ACA1CA2
SCHEMBL11755990 0.80 NPC1 (1.00) PKMNPC1RAB9ACA1CA2
SCHEMBL15595417 0.80 KDM4E (0.70) PKMNPC1RAB9ACA1CA2

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-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-20040077019-A1 Tagging compounds and process for use in aida libraries GSTACH HUBERT (AT) 2004-04-22 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
EP-1332135-A1 TAGGING COMPOUNDS AND PROCESS FOR USE IN AIDA LIBRARIES Novartis AG (CH) 2003-08-06 EP disclosed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
WO-2002079216-A1 LABELED OLIGONUCLEOTIDES, METHODS FOR MAKING SAME, AND COMPOUNDS USEFUL THEREFOR ISIS PHARMACEUTICALS, INC. (US) 2002-10-10 WO disclosed
WO-2002036575-A1 TAGGING COMPOUNDS AND PROCESS FOR USE IN AIDA LIBRARIES NOVARTIS AG (CH) 2002-05-10 WO disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
WO-2000055179-A1 NOVEL PHOSPHATE AND THIOPHOSPHATE PROTECTING GROUPS ISIS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 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 (1 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 PKM 3799/4885NPC1 3108/4885RAB9A 4761/4885

“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.