SCHEMBL4497816

SCHEMBL4497816

O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3-c3nc4ccc([N+](=O)[O-])cc4[nH]3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.74
MAPT P10636 4/20 0.69
RAB9A P51151 4/20 0.69
NPC1 O15118 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HTT P42858 2/20 0.64
MMP2 P08253 1/20 0.64
MMP9 P14780 1/20 0.64
MMP8 P22894 1/20 0.64
CASP3 P42574 1/20 0.64
MMP13 P45452 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 1/20 0.63
METAP1 P53582 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL4497810 0.94 NPBWR1 (0.65) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4487886 0.93 NPBWR1 (0.76) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4487881 0.93 MMP2 (0.66) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2245293 0.88 NPBWR1 (0.73) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30397301 0.88 NPBWR1 (0.73) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2250346 0.86 NPBWR1 (0.60) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28607204 0.86 NPBWR1 (0.74) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2967008 0.86 NPBWR1 (0.57) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3190704 0.85 AMY1A (0.59) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3202735 0.85 NPBWR1 (0.81) NPBWR1MAPTRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482373-B2 Bis-benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2009-01-27 US disclosed
US-20070027200-A1 Bis-benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2007-02-01 US disclosed
US-7132439-B2 Bis-benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2006-11-07 US disclosed
US-20040029925-A1 Bis-benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2004-02-12 US 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-20070027200-A1 Bis-benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNA3, KCNB2 NPBWR1 4113/4885MAPT 2367/4885RAB9A 3054/4885
US-20040029925-A1 Bis-benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNA3, KCNB2 NPBWR1 4113/4885MAPT 2367/4885RAB9A 3054/4885

“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.