SCHEMBL3300413

SCHEMBL3300413

O=C(O)c1ccc(NCc2ccc(F)cc2)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.73
STING1 Q86WV6 1/20 0.73
KDM4C Q9H3R0 1/20 0.58
GAA P10253 1/20 0.56
P4HTM Q9NXG6 1/20 0.56
BCL2L1 Q07817 1/20 0.50
MCL1 Q07820 1/20 0.50
CISD1 Q9NZ45 1/20 0.49
ARG1 P05089 1/20 0.49
XDH P47989 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
PYGL P06737 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NOX4 Q9NPH5 2/20 0.46
RGS12 O14924 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL29391100 0.88 PPARA (0.92) PPARASTING1KDM4CGAAP4HTM
SCHEMBL609562 0.88 PPARA (0.92) PPARASTING1KDM4CGAAP4HTM
SCHEMBL13317165 0.87 KDM4C (0.59) PPARASTING1KDM4CGAABCL2L1
SCHEMBL7079654 0.86 KDM4C (0.58) PPARASTING1KDM4CGAABCL2L1
SCHEMBL31227828 0.85 PPARA (1.00) PPARASTING1KDM4CGAAP4HTM
SCHEMBL3299042 0.83 KDM4C (0.56) PPARASTING1KDM4CBCL2L1MCL1
SCHEMBL27770271 0.83 EGFR (0.60) PPARASTING1KDM4CBCL2L1MCL1
SCHEMBL11237479 0.83 PPARA (0.62) PPARASTING1KDM4CGAAP4HTM
SCHEMBL7530660 0.82 KDM4C (0.54) PPARASTING1KDM4CGAABCL2L1
SCHEMBL3302536 0.81 PPARA (0.51) PPARASTING1KDM4CGAABCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US claimed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP claimed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO claimed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US disclosed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP disclosed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 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 (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-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 PPARA 2440/4885STING1 3132/4885KDM4C 1222/4885

“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.