SCHEMBL3297230

SCHEMBL3297230

O=[N+]([O-])c1c[c]ccc1Sc1ccco1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 6/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 6/20 0.36
▸ LMNA P02545 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ HTT P42858 2/20 0.32
▸ PDE7B Q9NP56 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ERN1 O75460 1/20 0.31

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
SCHEMBL4845838 0.76 PDE7A (0.55) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2881438 0.72 TDP1 (0.39) PDE7ASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL2889573 0.71 PDE7A (0.54) PDE7ASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL26423429 0.69 TDP1 (0.46) PDE7ASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL57882 0.66 TSHR (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL29145557 0.66 MAPT (0.32) PDE7ASMN1; SMN2MAPTL3MBTL1TXNRD1
SCHEMBL247495 0.66 PARP1 (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6800906 0.65 TDP1 (0.38) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL58127 0.63 HSD17B10 (0.54) SMN1; SMN2MAPTALDH1A1L3MBTL1TDP1
SCHEMBL1028967 0.63 TDP1 (0.50) PDE7ASMN1; SMN2MAPTLMNAALDH1A1

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 7 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-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 PDE7A 1278/4885SMN1; SMN2 2692/4885MAPT 2020/4885

“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.

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