SCHEMBL274251

SCHEMBL274251

CCC(=Cc1c[nH]c2ccccc12)[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
ALDH1A1 P00352 6/20 0.61
GAA P10253 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 2/20 0.61
MAPT P10636 9/20 0.52
POLB P06746 1/20 0.49
APP P05067 1/20 0.49
CYP2A6 P11509 1/20 0.49
IMPDH2 P12268 1/20 0.49
MEN1 O00255 6/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PSMD14 O00487 1/20 0.44
TLR9 Q9NR96 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL18425978 1.00 KMT2A (0.61) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL7960473 0.92 KMT2A (0.58) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL18426521 0.92 KMT2A (0.58) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL6024127 0.92 KMT2A (0.58) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL25292146 0.87 KMT2A (0.57) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL25292147 0.87 KMT2A (0.57) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL30492878 0.85 KMT2A (0.55) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL30492819 0.84 KMT2A (0.54) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22406557 0.84 ALDH1A1 (0.60) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL30410710 0.84 ALDH1A1 (0.60) KMT2AALDH1A1GAAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328379-B1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2021-07-28 EP disclosed
US-10975066-B2 Bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-04-13 US disclosed
US-20180222899-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2018-08-09 US disclosed
EP-3328379-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SPRL (BE) 2018-06-06 EP disclosed
WO-2017020010-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2017-02-02 WO disclosed
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 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 (6 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR KMT2A 4638/4885ALDH1A1 1722/4885GAA 1906/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C KMT2A 4330/4885ALDH1A1 1321/4885GAA 917/4885
US-10975066-B2 Bis-heteroaryl derivatives as modulators of protein aggregation HTT, PARK7, SNCA KMT2A 1383/4885ALDH1A1 4670/4885GAA 973/4885
US-20180222899-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION HTT, PARK7, SNCA KMT2A 1383/4885ALDH1A1 4670/4885GAA 973/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR KMT2A 4638/4885ALDH1A1 1722/4885GAA 1906/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR KMT2A 4077/4885ALDH1A1 3963/4885GAA 746/4885

“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.