SCHEMBL232839

SCHEMBL232839

O=[N+]([O-])c1c[c]ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 3/20 0.37
CTSB P07858 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
GPR35 Q9HC97 3/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL232701 0.83 ALDH1A1 (0.37) TDP1ALDH1A1CYP2D6CYP3A4CTSB
SCHEMBL57882 0.80 TSHR (0.40) TDP1ALDH1A1MAPTCYP3A4MEN1
SCHEMBL6800906 0.78 TDP1 (0.38) TDP1ALDH1A1CYP2D6MAPTCYP3A4
SCHEMBL1028967 0.77 TDP1 (0.50) TDP1ALDH1A1MAPTCYP3A4MEN1
SCHEMBL58127 0.77 HSD17B10 (0.54) TDP1ALDH1A1MAPTCYP3A4TSHR
SCHEMBL1028675 0.75 GPR35 (0.47) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL247495 0.75 PARP1 (0.41) TDP1ALDH1A1MAPTCYP3A4MEN1
SCHEMBL710076 0.75 ALDH1A1 (0.47) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL5675005 0.75 TDP1 (0.35) TDP1ALDH1A1MAPTCYP3A4MEN1
SCHEMBL2783828 0.75 TDP1 (0.48) TDP1ALDH1A1MAPTCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103030597-B Kidney type glutaminase inhibitor as well as preparation method and application kidney type glutaminase inhibitor WANG JIANBIN (CN) 2014-10-01 CN claimed
CN-103570620-A 1,12-iminobenzo[c]phenanthrene compound, intermediate, preparation method and application of compound KUNSHAN VISIONOX DISPLAY TECH 2014-02-12 CN claimed
US-20100292266-A1 Oxazolyl Piperidine Modulators of Fatty Acid Amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP claimed
EP-2023728-A2 OXAZOLYL PIPERIDINE MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2009-02-18 EP claimed
US-20080312301-A1 Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
EP-1893589-A1 SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-03-05 EP claimed
WO-2007140005-A2 OXAZOLYL PIPERIDINE MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 WO claimed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US claimed
CN-101006052-A Pyrrole derivatives as pharmaceutical agents EXELIXIS INC (US) 2007-07-25 CN claimed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP claimed
WO-2006131296-A1 SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-14 WO claimed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO claimed
EP-4382546-A1 POLY(UREA-URETHANE) POLYMER BASF SE (DE) 2024-06-12 EP disclosed
WO-2024105027-A1 CLOSED LOOP RECYCLING CONCEPT FOR COMPOSITES COMPRISING COVALENT ADAPTABLE POLY(UREA-URETHANE) NETWORKS WITH DYNAMIC HINDERED UREA BONDS BASF SE (DE) 2024-05-23 WO disclosed
WO-2024105029-A1 RECYCLABLE POLY(UREA-URETHANE) POLYMER AND COMPOSITE WITH DYNAMIC HINDERED UREA BONDS (HUBS) BASF SE (DE) 2024-05-23 WO disclosed
CN-1032011-A Pyrrolo-imidazoles and imidazopyridine and application thereof SMITHKLINE BECKMAN CORP (US) 1989-03-29 CN disclosed
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP disclosed
US-4751310-A Inhibition of the 5-lipoxygenase pathway SMITHKLINE BECKMAN CORPORATION (US) 1988-06-14 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 (3 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-20080312301-A1 Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof HTR5A, NPY5R, GRM5 TDP1 3169/4885ALDH1A1 2129/4885CYP2D6 1248/4885
US-20100292266-A1 Oxazolyl Piperidine Modulators of Fatty Acid Amide Hydrolase FAAH, FAAH2, APEH TDP1 3888/4885ALDH1A1 635/4885CYP2D6 2075/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 TDP1 4141/4885ALDH1A1 3746/4885CYP2D6 2546/4885

“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.