SCHEMBL293414

SCHEMBL293414

[CH2]OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.66
AKR1C3 P42330 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.55
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL1722787 0.83 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL37463 0.83 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL8062311 0.83 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL3157211 0.80 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL7057603 0.80 TSHR (0.58) IDO1AKR1C3LOXL2TSHRALDH1A1
SCHEMBL23091915 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL21753899 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL7769668 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL12417032 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL4016592 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046663-B2 Entecavir intermediate, synthetic method thereof and synthetic method for entecavir LAUNCH-PHARMA TECHNOLOGIES, LTD. (CN) 2021-06-29 US claimed
CN-109705063-B Entecavir intermediate and synthetic method thereof, and synthetic method of entecavir 广州市朗启医药科技有限责任公司 2021-01-01 CN claimed
US-20200255390-A1 ENTECAVIR INTERMEDIATE, SYNTHETIC METHOD THEREOF AND SYNTHETIC METHOD FOR ENTECAVIR LAUNCH-PHARMA TECHNOLOGIES, LTD. (CN) 2020-08-13 US claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP claimed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
EP-2508504-B1 PROCESS FOR PREPARATION OF CYCLOALKANEDICARBOXYLIC ACID MONOESTERS SUMITOMO CHEMICAL CO (JP) 2016-04-13 EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
US-8343893-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-01-01 US claimed
EP-2508504-A1 PROCESS FOR PREPARATION OF CYCLOALKANEDICARBOXYLIC ACID MONOESTERS Sumitomo Chemical Co., Ltd (JP) 2012-10-10 EP claimed
WO-2010145764-A1 SUBSTITUTED ENAMINO CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2010-12-23 WO claimed
EP-2264008-A1 Substituted enaminocarbonyl compounds Bayer CropScience AG (DE) 2010-12-22 EP claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US 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 (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-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists VDR, CYP2R1, CYP24A1 IDO1 3331/4885AKR1C3 182/4885LOXL2 2573/4885
US-20200255390-A1 ENTECAVIR INTERMEDIATE, SYNTHETIC METHOD THEREOF AND SYNTHETIC METHOD FOR ENTECAVIR ENTPD5, SAMHD1, ENTPD8 IDO1 1043/4885AKR1C3 1860/4885LOXL2 4410/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 IDO1 1322/4885AKR1C3 1516/4885LOXL2 2154/4885
US-11046663-B2 Entecavir intermediate, synthetic method thereof and synthetic method for entecavir ENTPD5, SAMHD1, ENTPD8 IDO1 1043/4885AKR1C3 1860/4885LOXL2 4410/4885

“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.