SCHEMBL535260

SCHEMBL535260

[CH2]COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
PTGS2 P35354 1/20 0.54
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 2/20 0.50
HSPB1 P04792 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 3/20 0.49
MAOB P27338 2/20 0.49
ALDH1A1 P00352 2/20 0.49
AOC3 Q16853 1/20 0.49
POLB P06746 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 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
SCHEMBL25383095 0.86 LMNA (0.50) LMNAPTGS2CA1CA2CA9
SCHEMBL72014 0.84 KCNH2 (0.55) LMNAPTGS2DRD2DRD4DRD3
SCHEMBL28180225 0.83 MAPT (0.54) LMNAPTGS2DRD2DRD4DRD3
SCHEMBL8746688 0.83 LMNA (0.58) LMNAPTGS2CA1CA2CA9
SCHEMBL6228523 0.83 MAPT (0.65) LMNAPTGS2DRD2DRD4DRD3
SCHEMBL7475821 0.82 DRD2 (0.58) PTGS2DRD2DRD4DRD3KCNH2
SCHEMBL367677 0.81 HRH3 (0.57) LMNADRD2DRD4DRD3KCNH2
SCHEMBL28049501 0.81 LMNA (0.56) LMNAPTGS2CA1CA2CA9
SCHEMBL9570575 0.81 DRD2 (0.65) LMNAPTGS2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL10553766 0.81 LMNA (0.56) LMNAPTGS2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146408-A The preparation method of 2,5,6 substituted pyrimidines ketone derivatives and the application as anti-hepatic-B virus medicine thereof 北京大学 2016-11-23 CN claimed
US-7956050-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2011-06-07 US claimed
CN-101495184-A Aryl and heteroaryl substituted tetrahydrobenzazepine  and its use to block reuptake of norepinephrine dopamine and serotonin AMR TECHNOLOGY INC (US) 2009-07-29 CN claimed
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-05-07 US claimed
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders AMR TECHNOLOGY, INC. (US) 2008-08-28 US claimed
EP-1904069-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2008-04-02 EP claimed
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 US claimed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 US claimed
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse AMR TECHNOLOGY, INC. (US) 2007-01-25 US claimed
WO-2007011820-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2007-01-25 WO claimed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US claimed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 US claimed
US-4689411-A ANTIBIOTICS OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1987-08-25 US claimed
US-4603014-A Thiazolinoazetidinone derivatives and process for the preparation of the same OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1986-07-29 US claimed
US-3985726-A DYEING AND PRINTING LEATHER, WOOL, SILK AND SYNTHETIC FIBERS CIBA-GEIGY AG (CH) 1976-10-12 US claimed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US claimed
JP-61212532-A None JP disclosed
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 CN disclosed
US-3945989-A Fluoro triazine containing water insoluble azo dyestuff CIBA-GEIGY AG (CH) 1976-03-23 US disclosed
US-3943120-A WATER INSOLUBLE CIBA-GEIGY AG (CH) 1976-03-09 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 (5 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-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders OPRL1, HTR1B, HTR3C LMNA 3305/4885PTGS2 3186/4885CA1 3659/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 LMNA 2543/4885PTGS2 2919/4885CA1 3862/4885
US-20060069262-A1 Oxadiazoles and their manufacture OXA1L, CYP1B1, OXER1 LMNA 4588/4885PTGS2 1451/4885CA1 3779/4885
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes KCNH1, KCNJ2, KCNH2 LMNA 2267/4885PTGS2 337/4885CA1 3101/4885
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B LMNA 2163/4885PTGS2 3919/4885CA1 4703/4885

“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.