SCHEMBL6513795

SCHEMBL6513795

Cn1c(C(=O)O)cc2ncccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.56
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
SRD5A2 P31213 2/20 0.42
GFER P55789 2/20 0.41
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
SRD5A1 P18405 1/20 0.39
RHEB Q15382 1/20 0.39
MAPK1 P28482 1/20 0.39
RPS6KA5 O75582 1/20 0.39
IDO1 P14902 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FGFR1 P11362 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
SCHEMBL14413693 0.87 BAZ2B (0.46) MCL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10110861 0.83 MAPT (0.38) MCL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL6512078 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTCNR2
SCHEMBL13682851 0.83 MAPK1 (0.46) MCL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL29904566 0.80 SLC22A12 (0.40) MCL1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL29030290 0.77 CNR2 (0.43) MCL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2053661 0.77 CNR2 (0.46) MCL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4411023 0.75 ALDH1A1 (0.49) MCL1HSD17B10KDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL31705791 0.74 GRM4 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL17440399 0.73 DAO (0.56) KDM4EALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US claimed
US-9333232-B2 Methods for treating papilloma virus infection NANOVIR LLC (US) 2016-05-10 US disclosed
US-9333232-B2 Methods for treating papilloma virus infection NANOVIR LLC (US) 2016-05-10 US disclosed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
US-8119677-B2 Polyamides containing amino butyric acid-based building blocks NANOVIR, LLC (US) 2012-02-21 US disclosed
US-8119677-B2 Polyamides containing amino butyric acid-based building blocks NANOVIR, LLC (US) 2012-02-21 US disclosed
US-20100015084-A1 Compounds for Treating Papilloma Virus Infection NANOVIR, LLC (US) 2010-01-21 US disclosed
US-20100015084-A1 Compounds for Treating Papilloma Virus Infection NANOVIR, LLC (US) 2010-01-21 US disclosed
US-20090306164-A1 Methods for Treating Papilloma Virus Infection NANOVIR, LLC (US) 2009-12-10 US disclosed
US-20090306164-A1 Methods for Treating Papilloma Virus Infection NANOVIR, LLC (US) 2009-12-10 US disclosed
US-7589171-B2 Polyamides for treating human papilloma virus NANOVIR, LLC (US) 2009-09-15 US disclosed
US-7589171-B2 Polyamides for treating human papilloma virus NANOVIR, LLC (US) 2009-09-15 US disclosed
US-20070293417-A1 Polyamides for treating human papilloma virus NANOVIR, LLC 2007-12-20 US disclosed
US-20070293417-A1 Polyamides for treating human papilloma virus NANOVIR, LLC 2007-12-20 US disclosed
WO-2007103584-A2 POLYAMIDES FOR TREATING HUMAN PAPILLOMA VIRUS NANOVIR, LLC (US) 2007-09-13 WO disclosed
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2004099131-A2 COMPOUNDS HAVING A FUSED, BICYCLIC MOIETY FOR BINDING TO THE MINOR GROOVE OF DSDNA PHARMACIA CORPORATION (US) 2004-11-18 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-20090306164-A1 Methods for Treating Papilloma Virus Infection POLI, VHL, TLR3 MCL1 1191/4885HSD17B10 3379/4885KDM4E 2155/4885
US-20100015084-A1 Compounds for Treating Papilloma Virus Infection POLI, PMAIP1, TLR3 MCL1 1039/4885HSD17B10 3315/4885KDM4E 1638/4885
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PCNA, POLM, PBRM1 MCL1 1506/4885HSD17B10 3287/4885KDM4E 3756/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 MCL1 2359/4885HSD17B10 1662/4885KDM4E 225/4885
US-20070293417-A1 Polyamides for treating human papilloma virus POLI, PARG, PARN MCL1 1282/4885HSD17B10 3858/4885KDM4E 1570/4885

“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.