SCHEMBL688074

SCHEMBL688074

N#Cc1cccc(-c2cccc(CO)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
CLK4 Q9HAZ1 2/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
CHEK1 O14757 1/20 0.45
MMP3 P08254 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTPN5 P54829 1/20 0.44
GABRA1 P14867 1/20 0.44
ADRA2C P18825 1/20 0.44
ENPP2 Q13822 1/20 0.43

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
SCHEMBL29478750 0.88 GLA (0.50) CYP11B1CYP11B2ENPP2
SCHEMBL92972 0.88 GLA (0.50) CYP11B1CYP11B2ENPP2
SCHEMBL16675765 0.87 PRKCI (0.56) PRKCICYP11B1CYP11B2MMP12MMP13
SCHEMBL7660410 0.87 MMP12 (0.55) PRKCICLK4XDHSLC22A12MMP12
Bromide SCHEMBL29784624 0.86 GLA (0.49) CYP11B1CYP11B2ENPP2
SCHEMBL13605867 0.84 PRKCI (0.45) PRKCICYP11B1CYP11B2GABRG2GABRB3
SCHEMBL7450600 0.83 CLK4 (0.50) CLK4CYP11B1CYP11B2XDHSLC22A12
SCHEMBL4191589 0.82 PRKCI (0.72) PRKCIACMSDENPP2
SCHEMBL2154026 0.82 CLK4 (0.65) CLK4XDHSLC22A12GABRG2GABRB3
SCHEMBL1997372 0.81 CLK4 (0.49) CLK4XDHSLC22A12GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP 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 (1 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 PRKCI 4852/4885CLK4 4827/4885CYP11B1 2157/4885

“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.