SCHEMBL273357

SCHEMBL273357

N#CCc1c[nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.69
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
MDH2 P40926 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TRPM8 Q7Z2W7 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
LTA4H P09960 3/20 0.53
PLA2G2A P14555 3/20 0.53
HTR1D P28221 3/20 0.51
PPARG P37231 2/20 0.49
SLC6A4 P31645 1/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48

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
SCHEMBL273476 0.90 TRPM8 (0.67) IMPDH2TRPM8KDM4EMAPTLTA4H
SCHEMBL27708665 0.82 IMPDH2 (1.00) IMPDH2ALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL1872950 0.81 TRPM8 (0.81) IMPDH2ALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL5664285 0.80 IMPDH2 (0.56) IMPDH2ALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL274611 0.80 HTR1D (0.63) IMPDH2ALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4473938 0.80 ALDH1A1 (0.65) IMPDH2ALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL18103513 0.79 HTR1B (0.50) IMPDH2KDM4EMAPTHTR1DMEN1
SCHEMBL19412207 0.79 KMT2A (0.61) IMPDH2ALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL30354019 0.79 KMT2A (0.61) IMPDH2ALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL30354028 0.79 KMT2A (0.61) IMPDH2ALDH1A1HPGDMDH2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002394-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2023-01-05 US disclosed
US-10421759-B2 Fused bicyclic compounds for the treatment of disease AKARNA THERAPEUTICS, LTD. (GB) 2019-09-24 US disclosed
US-20180118752-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. 2018-05-03 US 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 (7 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-10421759-B2 Fused bicyclic compounds for the treatment of disease VHL, BRDT, PAICS IMPDH2 1250/4885ALDH1A1 1592/4885HPGD 1072/4885
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR IMPDH2 1788/4885ALDH1A1 1722/4885HPGD 368/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C IMPDH2 2523/4885ALDH1A1 1321/4885HPGD 550/4885
US-20230002394-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS IMPDH2 1250/4885ALDH1A1 1592/4885HPGD 1072/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR IMPDH2 1788/4885ALDH1A1 1722/4885HPGD 368/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR IMPDH2 4365/4885ALDH1A1 3963/4885HPGD 3272/4885
US-20180118752-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS IMPDH2 1250/4885ALDH1A1 1592/4885HPGD 1072/4885

“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.