SCHEMBL5860103

SCHEMBL5860103

N#CC(Cc1ccccn1)(C(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 6/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KLF5 Q13887 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 1/20 0.38
STAT1 P42224 1/20 0.38

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
SCHEMBL5862734 0.81 ALDH1A1 (0.46) KMT2AL3MBTL1RAB9ANPC1MEN1
SCHEMBL5860161 0.70 POLB (0.49) KMT2AL3MBTL1RAB9ANPC1MEN1
SCHEMBL5860416 0.70 RECQL (0.47) KMT2AL3MBTL1RAB9ANPC1MEN1
SCHEMBL7787353 0.68 ALDH1A1 (0.44) KMT2AL3MBTL1RAB9ANPC1MEN1
SCHEMBL11141195 0.68 MAPT (0.45) KMT2AL3MBTL1RAB9ANPC1MEN1
SCHEMBL11622734 0.68 KMT2A (0.50) KMT2AL3MBTL1RAB9ANPC1MEN1
SCHEMBL32691849 0.67 ALDH1A1 (0.50) L3MBTL1ALDH1A1MAPTMAPK1CYP1A2
SCHEMBL11529772 0.67 KMT2A (0.58) KMT2AL3MBTL1RAB9ANPC1MEN1
SCHEMBL11627166 0.67 CYP1A2 (0.75) KMT2AL3MBTL1RAB9ANPC1MEN1
SCHEMBL1053453 0.66 KMT2A (0.60) KMT2AL3MBTL1RAB9ANPC1MEN1

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-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US claimed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed
US-20160318854-A1 Thioamides and Amides for Controlling Animal Pests BASF SE (DE) 2016-11-03 US disclosed
US-20160318854-A1 Thioamides and Amides for Controlling Animal Pests BASF SE (DE) 2016-11-03 US disclosed
US-7012146-B2 Ion channel modulating agents POSEIDON PHARMACEUTICALS A/S (DK) 2006-03-14 US disclosed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US disclosed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 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 (2 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-20160318854-A1 Thioamides and Amides for Controlling Animal Pests TST, TMT1A, ACHE KMT2A 171/4885L3MBTL1 118/4885RAB9A 1606/4885
US-20020169203-A1 Ion channel modulating agents KCNN3, KCNN1, KCNN2 KMT2A 1783/4885L3MBTL1 4454/4885RAB9A 3051/4885

“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.