SCHEMBL2851629

SCHEMBL2851629

CCCCCS(=O)(=O)c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
FAAH O00519 2/20 0.34
TXNRD1 Q16881 3/20 0.34
GSR P00390 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL7296081 0.83 TBXAS1 (0.35) KDM4ETAAR1TXNRD1
SCHEMBL4681643 0.83 TBXAS1 (0.35) KDM4ETAAR1TXNRD1
SCHEMBL7288664 0.82 TBXAS1 (0.33) KDM4EHTR1ATAAR1TXNRD1
SCHEMBL4681647 0.81 CA2 (0.40) EPHX2KDM4E
SCHEMBL7296085 0.81 CA2 (0.40) EPHX2KDM4E
SCHEMBL2010779 0.81 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL7288670 0.81 CA2 (0.40) KDM4ETAAR1TXNRD1
Isophthalic Acid SCHEMBL28033549 0.78 PTPN11 (0.40)
SCHEMBL4682203 0.78 TAAR1 (0.33) HTR1ATAAR1TXNRD1
SCHEMBL4682206 0.77 CA2 (0.36) HTR1ATAAR1TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751156-B1 6,7,8,9-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO(3,2-B)INDOL-2-ONES USEFUL AS ANTI-INFECTIVE PHARMACEUTICAL AGENTS TIBOTEC PHARM LTD (IE) 2010-09-15 EP disclosed
US-20100029635-A1 6,7,8,9-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES USEFUL AS ANTI-INFECTIVE PHARMACEUTICAL AGENTS KESTELEYN BART RUDOLF ROMANIE 2010-02-04 US disclosed
US-7622582-B2 Derivatives of 1-phenyl-benzofuro[3,2]pyridin-2(1H)-one TIBOTEC BVBA (BE) 2009-11-24 US disclosed
US-7622581-B2 6,7,8,9-substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-11-24 US disclosed
US-7615639-B2 1-pyridyl-benzofuro[3,2-b]pyridin-2(1H)-ones TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-10 US disclosed
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-11-15 US disclosed
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals TIBOTEC BVBA (BE) 2007-10-11 US disclosed
US-20070213320-A1 4-SUBSTITUTED-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES TIBOTEC BVBA (BE) 2007-09-13 US disclosed
US-20070167434-A1 6,7,8,9-Substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents TIBOTEC BVBA (BE) 2007-07-19 US disclosed
EP-1758911-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES Tibotec Pharmaceuticals Ltd. (IE) 2007-03-07 EP disclosed
EP-1751165-A1 4-SUBSTITUTED 1,5-DIHYDRO-PYRIDO(3,2-B)INDOL-2-ONES Tibotec Pharmaceuticals Ltd. (IE) 2007-02-14 EP disclosed
EP-1751154-A1 5-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO[3,2-B] INDOL-2-ONES AND ANALOGS AS ANTI-VIRALS Tibotec Pharmaceuticals Ltd. (IE) 2007-02-14 EP disclosed
EP-1751156-A1 6,7,8,9-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO(3,2-B)INDOL-2-ONES USEFUL AS ANTI-INFECTIVE PHARMACEUTICAL AGENTS Tibotec Pharmaceuticals Ltd. (IE) 2007-02-14 EP disclosed
WO-2005111035-A1 6,7,8,9-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES USEFUL AS ANTI-INFECTIVE PHARMACEUTICAL AGENTS TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 WO disclosed
WO-2005111034-A1 5-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO’3,2-B! INDOL-2-ONES AND ANALOGS AS ANTI-VIRALS TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 WO disclosed
WO-2005111044-A1 4-SUBSTITUTED-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 WO disclosed
WO-2005111047-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 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-20070213320-A1 4-SUBSTITUTED-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES NR2C2, CYP4B1, OXER1 EPHX2 188/4885CYP1A2 14/4885CYP3A4 15/4885
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CBR1, HRH4, CYP4B1 EPHX2 97/4885CYP1A2 12/4885CYP3A4 20/4885
US-20100029635-A1 6,7,8,9-SUBSTITUTED 1-PHENYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES USEFUL AS ANTI-INFECTIVE PHARMACEUTICAL AGENTS HRH4, CBR1, HRH2 EPHX2 192/4885CYP1A2 19/4885CYP3A4 11/4885
US-20070167434-A1 6,7,8,9-Substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents HRH4, CBR1, HRH2 EPHX2 191/4885CYP1A2 19/4885CYP3A4 12/4885
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals NR5A2, NR5A1, NR4A1 EPHX2 587/4885CYP1A2 61/4885CYP3A4 48/4885

“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.