SCHEMBL2962092

SCHEMBL2962092

O=[C]N(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 6/20 0.39
ALOX15 P16050 1/20 0.39
HSP90AA1 P07900 2/20 0.38
KMT2A Q03164 4/20 0.37
HTT P42858 3/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL3245508 0.74 ALDH1A1 (0.41) NPSR1ALDH1A1ALOX15HSP90AA1KMT2A
SCHEMBL28819096 0.73
SCHEMBL104821 0.72 ALDH1A1 (0.42) NPSR1ALDH1A1ALOX15HSP90AA1KMT2A
SCHEMBL3664780 0.70 NPSR1 (0.46) NPSR1ALDH1A1ALOX15KMT2AHTT
SCHEMBL3241706 0.69 ESR1 (0.46) NPSR1ALDH1A1HSP90AA1KMT2AHTT
SCHEMBL7668425 0.69 NPSR1 (0.39) NPSR1ALDH1A1ALOX15HSP90AA1KMT2A
SCHEMBL3486864 0.69 NPSR1 (0.39) NPSR1ALDH1A1ALOX15HSP90AA1KMT2A
SCHEMBL3239982 0.69 NPSR1 (0.44) NPSR1ALDH1A1KMT2AHTTMEN1
SCHEMBL8394594 0.68 ALDH1A1 (0.39) NPSR1ALDH1A1ALOX15HSP90AA1KMT2A
SCHEMBL2015505 0.68 ALDH1A1 (0.39) NPSR1ALDH1A1ALOX15HSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014200882-A1 PDE10a INHIBITORS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 WO claimed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN claimed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO claimed
US-6218379-B1 Tricyclic carbacephems HOFFMANN-LA ROCHE INC. 2001-04-17 US claimed
EP-0912574-A1 BETA-LACTAMS F. HOFFMANN-LA ROCHE AG (CH) 1999-05-06 EP claimed
EP-0879223-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS Centre Europeen de Bioprospective -CEB (FR) 1998-11-25 EP claimed
WO-1997026237-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CENTRE EUROPEEN DE BIOPROSPECTIVE - CEB (FR) 1997-07-24 WO claimed
US-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US claimed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
US-5354913-A Chemical intermediates for drugs or drugs as thromboxane, prostaglandin antagonist, lipoxygenase enzyme inhibitor, antioxidants TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US claimed
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US claimed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 EP claimed
CN-87100723-A Quinone derivative, their preparation and use 1987-09-16 CN claimed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 EP 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 NPSR1 3949/4885ALDH1A1 2723/4885ALOX15 1858/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 NPSR1 3949/4885ALDH1A1 2723/4885ALOX15 1858/4885

“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.