SCHEMBL3608965

SCHEMBL3608965

[O]C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.67
NPC1 O15118 12/20 0.67
MAPT P10636 2/20 0.67
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
POLB P06746 2/20 0.65
ALDH1A1 P00352 3/20 0.61
CYP1A2 P05177 2/20 0.61
KDM4E B2RXH2 2/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
GAA P10253 1/20 0.57
CASP3 P42574 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
LMNA P02545 1/20 0.54
CA2 P00918 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
SCHEMBL9547503 0.85 RAB9A (0.89) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1672113 0.83 RAB9A (0.72) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL516845 0.82 RAB9A (0.65) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1176632 0.82 RAB9A (0.65) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1176635 0.82 MEN1 (0.69) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL516844 0.82 RAB9A (0.65) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL30697002 0.80 MAPT (1.00) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7643064 0.80 NPC1 (0.81) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL15727595 0.80 RAB9A (0.68) RAB9ANPC1MAPTMEN1KMT2A
Anthracene SCHEMBL29076817 0.80 MEN1 (0.67) RAB9ANPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
EP-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
US-7208086-B2 Saccharide and support for chromatography NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-04-24 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
US-6720285-B2 PARTICULARLY VALUABLE AS A CHIRAL STATIONARY PHASE IN ENANTIOMERIC SEPARATIONS AND ENANTIOMERIC ANALYSIS. NATIONAL UNIVERSITY OF SINGAPORE (SG) 2004-04-13 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
US-20020058588-A1 Materials comprising saccharide cross-linked and chemically bonded to a support via urea linkages useful for chromatography and electrophoresis applications NATIONAL UNIVERSITY OF SINGAPORE 2002-05-16 US disclosed
US-4191574-A AZO-METHINE DYES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-03-04 US disclosed
US-4138264-A Silver halide emulsion containing two equivalent type coupler for use in photography KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-02-06 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 (4 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 RAB9A 709/4885NPC1 1421/4885MAPT 680/4885
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A RAB9A 64/4885NPC1 3068/4885MAPT 4109/4885
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A RAB9A 742/4885NPC1 3538/4885MAPT 3954/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE RAB9A 512/4885NPC1 37/4885MAPT 2065/4885

“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.