SCHEMBL3297396

SCHEMBL3297396

O=C(O)c1ccc(Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 2/20 0.54
ACMSD Q8TDX5 2/20 0.54
HPSE Q9Y251 1/20 0.53
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
PTPN1 P18031 2/20 0.48
KCNMA1 Q12791 1/20 0.47
ABCB1 P08183 4/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ABCC1 P33527 3/20 0.45
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
DHFR P00374 1/20 0.43
MCL1 Q07820 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
SCHEMBL3296918 0.86 HPSE (0.52) HPSEPOLBMEN1KMT2AALDH1A1
SCHEMBL3298565 0.85 CTSV (0.54) HPSEPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL31090828 0.80 SMN1; SMN2 (0.60) HPSEPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL3297758 0.80 ACMSD (0.59) HNF4AACMSDMEN1KMT2AALDH1A1
SCHEMBL10420454 0.79 ACMSD (0.69) HNF4AACMSDPOLBALDH1A1XDH
SCHEMBL5193454 0.77 CRHBP (0.59) HNF4AACMSDPOLBMEN1KMT2A
SCHEMBL3297956 0.77 ACMSD (0.55) HNF4AACMSDPOLBXDHSLC22A12
SCHEMBL178231 0.76 HPSE (0.52) HPSEMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3302267 0.75 ACMSD (0.52) HNF4AACMSDPOLBXDHSLC22A12
Formaldehyde SCHEMBL27611540 0.75 CRHBP (0.56) HNF4AACMSDPOLBMEN1KMT2A

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 HNF4A 949/4885ACMSD 3931/4885HPSE 3047/4885

“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.