SCHEMBL37463

SCHEMBL37463

O=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.70
AKR1C3 P42330 1/20 0.61
LOXL2 Q9Y4K0 1/20 0.59
TSHR P16473 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAOB P27338 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL11441117 0.92 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRCYP2C19
SCHEMBL19621588 0.92 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRCYP2C19
SCHEMBL9347010 0.90 IDO1 (0.59) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL6141174 0.90 IDO1 (0.63) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL629644 0.90 IDO1 (0.63) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL27712803 0.90 TSHR (0.60) IDO1AKR1C3TSHRCYP2C19ALDH1A1
SCHEMBL7027123 0.88 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL7087223 0.88 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL7032223 0.88 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL3935764 0.88 IDO1 (0.61) 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 311 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812027-B Methoxyaniline compound and synthetic method thereof 湘潭大学 2022-05-27 CN claimed
CN-114411169-A Photoelectrocatalysis hydrogen production and nitro aromatic hydrocarbon in-situ hydrogenation integrated device and application 山西大学 2022-04-29 CN claimed
WO-2021216722-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2021-10-28 WO claimed
CN-112812027-A Methoxyaniline compound and synthetic method thereof 湘潭大学 2021-05-18 CN claimed
EP-2635547-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS United Phosphorus Limited (IN) 2013-09-11 EP claimed
US-20130217900-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS UNITED PHOSPHORUS LIMITED (IN) 2013-08-22 US claimed
WO-2012059807-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS UNITED PHOSPHORUS LIMITED (IN) 2012-05-10 WO claimed
US-7166723-B2 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino-[2,3-f] quinoline WYETH (US) 2007-01-23 US claimed
US-20060074240-A1 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino-[2,3-f] quinoline WYETH (US) 2006-04-06 US claimed
CN-1247590-C Process for synthesis of derivatives of 2,30dihydro-1,4-dioxino-[2,3-f]quinoline WYETH CORP (US) 2006-03-29 CN claimed
WO-2005058246-A2 METHOD FOR PREPARING RADIOLABELED THYMIDINE MOLECULAR TECHNOLOGIES, INC. (US) 2005-06-30 WO claimed
US-20050131224-A1 Method for preparing radiolabeled thymidine CTI PET SYSTEMS, INC. 2005-06-16 US claimed
US-20040186123-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline WYETH 2004-09-23 US claimed
CN-1509290-A Process for synthesis of derivatives of 2,30dihydro-1,4-dioxino-[2,3-f]quinoline 2004-06-30 CN claimed
EP-1387845-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-(2,3-f) QUINOLINE Wyeth (US) 2004-02-11 EP claimed
US-20030215871-A1 Chemically inert molecular tags PHARMACOPEIA, INC. (US) 2003-11-20 US claimed
US-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline WYETH 2002-12-12 US claimed
WO-2002092602-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-f] QUINOLINE WYETH (US) 2002-11-21 WO claimed
EP-0766660-B1 CYCLOHEXANONE DERIVATIVES, METHOD OF PREPARING THEM AND INTERMEDIATES USED IN THE METHOD SCHERING AG (DE) 1999-12-29 EP claimed
US-5886233-A Cyclohexanone derivatives, process for their production and intermediate products of the process SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 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 (6 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-20060074240-A1 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino-[2,3-f] quinoline CYP1A1, CYP2F1, CYP1A2 IDO1 375/4885AKR1C3 600/4885LOXL2 2250/4885
US-20030215871-A1 Chemically inert molecular tags ALK, ADH1A, ADH1C IDO1 4235/4885AKR1C3 180/4885LOXL2 2848/4885
US-20130217900-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS CYP21A2, HRH3, P4HA1 IDO1 355/4885AKR1C3 109/4885LOXL2 3014/4885
US-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline CYP1A1, CYP2F1, CYP1B1 IDO1 317/4885AKR1C3 604/4885LOXL2 2215/4885
US-20050131224-A1 Method for preparing radiolabeled thymidine TYMP, TYMS, DUT IDO1 912/4885AKR1C3 541/4885LOXL2 3707/4885
US-20040186123-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline CYP1A1, CYP2F1, CYP1B1 IDO1 317/4885AKR1C3 604/4885LOXL2 2215/4885

“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.