SCHEMBL717794

SCHEMBL717794

COc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.71
▸ TDP1 Q9NUW8 5/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ POLB P06746 2/20 0.71
▸ ALDH1A1 P00352 5/20 0.59
▸ HTT P42858 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TSHR P16473 1/20 0.53
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HTR7 P34969 1/20 0.50
▸ PKM P14618 2/20 0.49
▸ APP P05067 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 2/20 0.45

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
SCHEMBL4330380 0.87 MAPT (0.56) MAPTTDP1MEN1KMT2APOLB
SCHEMBL16816933 0.87 MAPT (0.76) MAPTTDP1MEN1KMT2APOLB
SCHEMBL27774544 0.86 ALDH1A1 (0.61) MAPTTDP1MEN1KMT2APOLB
SCHEMBL204041 0.86 ALDH1A1 (0.61) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29655122 0.86 TDP1 (0.65) MAPTTDP1MEN1KMT2APOLB
SCHEMBL1663978 0.85 ALDH1A1 (0.54) MAPTTDP1MEN1KMT2APOLB
SCHEMBL737722 0.84 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29409289 0.84 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
SCHEMBL3489531 0.84 ALDH1A1 (0.59) MAPTTDP1MEN1KMT2APOLB
SCHEMBL1252750 0.83 NPC1 (0.57) MAPTTDP1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE(TGEN (US) 2012-03-01 — — US claimed
WO-2009100045-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2009-08-13 — — WO claimed
EP-1615637-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 — — EP claimed
WO-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 — — WO claimed
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 — — CN disclosed
CN-104011010-B Bisaniline compounds and its manufacture method 组合化学工业株式会社 2017-11-28 — — CN disclosed
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 — — CN disclosed
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 — — US disclosed
EP-1633725-A1 HEPATITIS C VIRUS INHIBITORS LG Life Sciences Ltd. (KR) 2006-03-15 — — EP disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 — — EP disclosed
EP-1615637-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 — — EP disclosed
WO-2004111013-A1 HEPATITIS C VIRUS INHIBITORS LG LIFE SCIENCES LTD. (KR) 2004-12-23 — — WO disclosed
WO-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 — — WO disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 — — EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 — — 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 (1 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-20120053188-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HYDROXAMIC ACID DERIVATIVES HDAC5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC4 MAPT 4212/4885TDP1 3005/4885MEN1 2170/4885

“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.

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