SCHEMBL1173489

SCHEMBL1173489

O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ENPP2 Q13822 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SPR P35270 1/20 0.43
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
F10 P00742 7/20 0.43
PTPN1 P18031 1/20 0.42
APP P05067 2/20 0.42
HTR2C P28335 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRA1D P25100 2/20 0.41
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL1173806 0.99 KMO (0.47) KMOKDM4EALDH1A1HPGDENPP2
SCHEMBL14572831 0.94 KDM4E (0.46) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL1173868 0.83 NPC1 (0.54) KDM4EALDH1A1BRD4POLBCREBBP
SCHEMBL13965798 0.83 ADRA1D (0.43) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL3236982 0.83 PTPN1 (0.39) KMOF10PTPN1ADRA1DCAMKK2
SCHEMBL51234 0.82 NPC1 (0.53) KDM4EALDH1A1BRD4POLBCREBBP
SCHEMBL2901517 0.79 GABRA1 (0.42) KDM4EALDH1A1BRD4POLBCREBBP
SCHEMBL27691117 0.78 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL847927 0.76 SCN9A (0.46) F10
SCHEMBL399291 0.75 HTR1D (0.55) KDM4EAPPHTR2CADRB2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102424680-A Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD 2012-04-25 CN disclosed
CN-1558759-B Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD 2012-01-25 CN disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7851625-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-14 US disclosed
CN-1610546-A Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2005-04-27 CN disclosed
CN-1558759-A Viral polymerase inhibitors ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-29 CN disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 WO disclosed
EP-1414441-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
EP-1414797-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 US disclosed
US-20030176433-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-09-18 US disclosed
WO-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 WO disclosed
WO-2003010140-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 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 (3 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-20030176433-A1 Viral polymerase inhibitors NR4A1, RCOR1, RER1 KMO 2642/4885KDM4E 2739/4885ALDH1A1 2167/4885
US-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H KMO 3669/4885KDM4E 2416/4885ALDH1A1 1928/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 KMO 2073/4885KDM4E 2494/4885ALDH1A1 2367/4885

“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.