SCHEMBL3680356

SCHEMBL3680356

O=c1oc2ccccc2c(I)c1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.67
MAPT P10636 10/20 0.61
ALDH1A1 P00352 8/20 0.58
HTT P42858 4/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 4/20 0.56
GAA P10253 3/20 0.56
GPR55 Q9Y2T6 1/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 1/20 0.50

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
SCHEMBL3680354 0.87 LMNA (0.62) LMNAMAPTALDH1A1HTTPKM
SCHEMBL21645618 0.80 LMNA (0.67) LMNAMAPTALDH1A1HTTPKM
SCHEMBL30272141 0.80 LMNA (0.67) LMNAMAPTALDH1A1HTTPKM
SCHEMBL17844954 0.80 LMNA (1.00) LMNAMAPTALDH1A1HTTPKM
SCHEMBL5138522 0.80 LMNA (0.67) LMNAMAPTALDH1A1HTTPKM
SCHEMBL2017838 0.80 LMNA (0.67) LMNAMAPTALDH1A1HTTPKM
SCHEMBL18153335 0.78 LMNA (0.59) LMNAMAPTALDH1A1HTTPKM
SCHEMBL10615652 0.76 MAPT (1.00) LMNAMAPTALDH1A1HTTPKM
SCHEMBL25873158 0.76 LMNA (0.47) LMNAMAPTALDH1A1HTTPKM
SCHEMBL25873138 0.76 LMNA (0.47) LMNAMAPTALDH1A1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059802-A2 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF Bipar Sciences, Inc. (US) 2009-05-20 EP claimed
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US claimed
WO-2008030887-A2 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO claimed
US-20240366568-A1 COMPOSITIONS AND METHODS FOR TREATING TISSUE INJURY UNIV CASE WESTERN RESERVE (US) 2024-11-07 US disclosed
CN-118496217-A Inhibitors of alpha-amino-beta-carboxyhexadienoic acid semialdehyde decarboxylase TES制药有限责任公司 2024-08-16 CN disclosed
US-11931339-B2 Compositions and methods for treating tissue injury CASE WESTERN RESERVE UNIVERSITY (US) 2024-03-19 US disclosed
EP-3419632-B1 NR OR NMN FOR ENHANCING LIVER REGENERATION UNIV PENNSYLVANIA (US) 2023-12-20 EP disclosed
US-11559522-B2 Methods for enhancing liver regeneration THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-01-24 US disclosed
US-20210346365-A1 METHODS FOR ENHANCING LIVER REGENERATION THE TRUSTEES OF THE UNIVERSTIY OF PENNSYLVANIA (US) 2021-11-11 US disclosed
CN-113302189-A Inhibitors of alpha-amino-beta-carboxyadipimic acid semialdehyde decarboxylating enzyme TES制药有限责任公司 2021-08-24 CN disclosed
CN-113121450-A Alpha-amino-beta-carboxymuconate semialdehyde decarboxylase inhibitors TES制药有限责任公司 2021-07-16 CN disclosed
US-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 US disclosed
WO-2008030887-A2 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed
US-6004978-A ADMINISTERING AS ANTITUMOR AGENT OR VIRICIDE OCTAMER, INC. (US) 1999-12-21 US disclosed
EP-0698019-B1 NOVEL AROMATIC NITRO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER INC (US) 1998-08-05 EP disclosed
US-5670518-A ANTITUMOR AGENTS; VIRICIDES OCTAMER, INC. 1997-09-23 US disclosed
US-5652367-A ANTICANCER AGENTS OCTAMER, INC. 1997-07-29 US disclosed
EP-0698019-A1 NOVEL AROMATIC NITRO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER, INC. (US) 1996-02-28 EP disclosed
US-5464871-A Aromatic amides OCTAMER, INC. (US) 1995-11-07 US disclosed
WO-1994026730-A2 NOVEL AROMATIC NITRO AND NITROSO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER, INC. (US) 1994-11-24 WO 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-20080076778-A1 METHODS FOR DESIGNING PARP INHIBITORS AND USES THEREOF PARP3, PARP1, PARP15 LMNA 554/4885MAPT 3488/4885ALDH1A1 1787/4885
US-11931339-B2 Compositions and methods for treating tissue injury PDK4, AK1, PDK1 LMNA 1588/4885MAPT 2286/4885ALDH1A1 123/4885
US-20210346365-A1 METHODS FOR ENHANCING LIVER REGENERATION NNT, SIRT1, NADK LMNA 1502/4885MAPT 4358/4885ALDH1A1 257/4885
US-11559522-B2 Methods for enhancing liver regeneration NNT, SIRT1, NADK LMNA 1502/4885MAPT 4358/4885ALDH1A1 257/4885
US-20240366568-A1 COMPOSITIONS AND METHODS FOR TREATING TISSUE INJURY PDK4, AK1, PDK1 LMNA 1588/4885MAPT 2286/4885ALDH1A1 123/4885

“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.