SCHEMBL7566531

SCHEMBL7566531

COC(=O)c1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
MAPT P10636 1/20 0.65
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HPGD P15428 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KMT2A Q03164 5/20 0.63
VCAM1 P19320 1/20 0.62
MEN1 O00255 3/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 1/20 0.61
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.57

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
SCHEMBL30445111 1.00 ALDH1A1 (0.65) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL30816909 0.91 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL310574 0.87 VCAM1 (0.58) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL2156946 0.87 ALDH1A1 (0.63) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL3824914 0.87 ALDH1A1 (0.63) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL27650719 0.86 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL4641784 0.86 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL4337680 0.85 ALDH1A1 (0.62) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL176357 0.85 TTR (0.68) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL30825381 0.85 ALDH1A1 (0.62) ALDH1A1MAPTCYP3A4TSHRTDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
CN-109400625-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2021-11-12 CN disclosed
WO-2019034096-A1 FUSED BICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-02-21 WO disclosed
US-9822065-B1 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-11-21 US disclosed
US-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain ASTRAZENECA AB (SE) 2002-09-26 US disclosed
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
US-5844110-A Synthetic triple helix-forming compound precursors UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1998-12-01 US disclosed
WO-1997037999-A1 SYNTHETIC TRIPLE HELIX-FORMING COMPOUNDS UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1997-10-16 WO disclosed
WO-1996023777-A1 SYNTHETIC TRIPLE HELIX-FORMING COMPOUNDS UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1996-08-08 WO disclosed
US-5424479-A Reacting aromatic hydroxycarboxylic acids in a mixture with methoxycarboxylic acids with dimethyl sulfate in water CASSELLA AG (DE) 1995-06-13 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 (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-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain OPRM1, HIF1AN, MAOB ALDH1A1 784/4885MAPT 986/4885CYP3A4 257/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 ALDH1A1 449/4885MAPT 1559/4885CYP3A4 111/4885

“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.