SCHEMBL2005572

SCHEMBL2005572

COc1ccc2c(c1)N(C(C)=O)CC2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
HSD17B3 P37058 3/20 0.47
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
KYAT1 Q16773 1/20 0.40
KYAT3 Q6YP21 1/20 0.40
AADAT Q8N5Z0 1/20 0.40
METAP1 P53582 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
SCHEMBL5712056 0.88 NOTUM (0.57) NOTUMHSD17B3KDM4ECYP1A2CYP2C9
SCHEMBL642522 0.87 NOTUM (0.63) NOTUMHSD17B3KDM4EHTTALDH1A1
SCHEMBL6218301 0.79 NOTUM (0.54) NOTUMHSD17B3KDM4ECA1CA2
SCHEMBL68600 0.78 NOTUM (0.60) NOTUMHSD17B3CA1CA2CA4
SCHEMBL28984695 0.78 NOTUM (0.60) NOTUMHSD17B3MAPTHPGD
SCHEMBL569327 0.78 NOTUM (0.60) NOTUMHSD17B3CA1CA2CA7
SCHEMBL1048074 0.73 NOTUM (1.00) NOTUMHSD17B3KDM4ECYP2C9CYP2D6
SCHEMBL30003296 0.73 NOTUM (1.00) NOTUMHSD17B3KDM4ECYP2C9CYP2D6
SCHEMBL8866893 0.73 NOTUM (0.41) NOTUMKDM4EHTTALDH1A1HSD17B10
SCHEMBL29187748 0.73 NOTUM (0.54) NOTUMKDM4ECA1CA2CA7

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
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
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-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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 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-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-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 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
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
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 US 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 (4 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT NOTUM 359/4885HSD17B3 233/4885KDM4E 1373/4885
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 NOTUM 1271/4885HSD17B3 277/4885KDM4E 3853/4885
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 NOTUM 1112/4885HSD17B3 254/4885KDM4E 3958/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT NOTUM 359/4885HSD17B3 233/4885KDM4E 1373/4885

“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.