SCHEMBL1962576

SCHEMBL1962576

Brc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.47
NR1H2 P55055 3/20 0.47
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 3/20 0.46
HPGDS O60760 1/20 0.45
CYP19A1 P11511 1/20 0.42
CYP17A1 P05093 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
GAA P10253 2/20 0.38
GALR3 O60755 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38
STAT3 P40763 1/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2E1 P05181 1/20 0.38

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
SCHEMBL1961068 0.90 CYP11B1 (0.50) NR1H3NR1H2CYP11B1CYP11B2HPGDS
SCHEMBL1411948 0.90 HPGDS (0.54) NR1H3NR1H2CYP11B1CYP11B2HPGDS
SCHEMBL1959850 0.88 AHR (0.43) NR1H3NR1H2CYP11B1CYP11B2HPGDS
SCHEMBL1961421 0.87 CYP11B1 (0.48) NR1H3NR1H2CYP11B1CYP11B2CYP19A1
SCHEMBL1961665 0.87 MGAM (0.43) NR1H3NR1H2CYP11B1CYP11B2CYP19A1
SCHEMBL1958116 0.87 SMN1; SMN2 (0.50) NR1H3NR1H2CYP11B1CYP11B2HPGDS
SCHEMBL1958857 0.86 AHR (0.42) NR1H3NR1H2CYP11B1CYP11B2CYP19A1
SCHEMBL1961126 0.86 HPGDS (0.45) NR1H3CYP11B1CYP11B2HPGDSCYP19A1
SCHEMBL1959643 0.86 SMN1; SMN2 (0.52) NR1H3CYP11B1CYP11B2HPGDSCYP19A1
SCHEMBL1959223 0.86 CYP11B1 (0.42) NR1H3NR1H2CYP11B1CYP11B2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142792-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2019-05-16 US claimed
US-20170035726-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2017-02-09 US claimed
US-20150011488-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2015-01-08 US claimed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
US-20110218241-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2011-09-08 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
US-8404707-B2 Imidazo [1, 2-a] pyrrolo [3, 2-c] pyridine compounds useful as pestivirus inhibitors UNIVERSITE D'AUVERGNE CLERMONT 1 (FR) 2013-03-26 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2125807-B1 IMIDAZO[1,2-A]PYRROLO[3,2-C]PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS UNIV LEUVEN KATH (BE) 2011-08-03 EP disclosed
EP-2125807-A2 IMIDAZO[1,2-A]PYRROLO[3,2-C]PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS Katholieke Universiteit Leuven (BE) 2009-12-02 EP disclosed
WO-2008070937-A2 IMIDAZO [1, 2-A] PYRROLO [3, 2-C] PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-06-19 WO disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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-20150011488-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO NR1H3 4778/4885NR1H2 4814/4885CYP11B1 4499/4885
US-20170035726-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO NR1H3 4778/4885NR1H2 4814/4885CYP11B1 4499/4885
US-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 NR1H3 2655/4885NR1H2 2716/4885CYP11B1 1458/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NR1H3 2044/4885NR1H2 2225/4885CYP11B1 783/4885
US-20110218241-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, MGMT NR1H3 4768/4885NR1H2 4794/4885CYP11B1 4422/4885
US-20190142792-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO NR1H3 4778/4885NR1H2 4814/4885CYP11B1 4499/4885

“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.