SCHEMBL4014022

SCHEMBL4014022

O=[N+]([O-])c1ccc2nn(-c3nccc(Nc4ccc(Cl)cc4)n3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.46
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PIN1 Q13526 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GUCY1B2 O75343 1/20 0.38
GUCY1A2 P33402 1/20 0.38
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL4013574 0.92 MEN1 (0.48) ROCK1PIK3CAPIK3CBPIK3CGPIN1
SCHEMBL4428333 0.80 PTGES (0.43) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL17199295 0.76 MEN1 (0.60) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL28698076 0.72 KMT2A (0.51) ROCK1MEN1KMT2AMAPTNPC1
Hydrochloric Acid SCHEMBL2177469 0.69 ROCK1 (0.68) ROCK1PIK3CAPIK3CBPIK3CGMEN1
SCHEMBL4013569 0.68 PIN1 (0.52) PIN1MEN1KMT2AMAPTPLK1
SCHEMBL22860666 0.68 GUCY1B2 (0.77) PIN1MEN1KMT2AMAPTNPC1
SCHEMBL29495111 0.68 GUCY1B2 (0.77) PIN1MEN1KMT2AMAPTNPC1
SCHEMBL3223391 0.67 MAPT (0.76) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL13492787 0.66 MAPT (0.79) MEN1KMT2AMAPTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222262-B2 Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH A/S (DK) 2012-07-17 US claimed
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-12-31 US claimed
CN-101516873-A Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH AS (DK) 2009-08-26 CN claimed
EP-2074113-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NeuroSearch A/S (DK) 2009-07-01 EP claimed
WO-2008040753-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-04-10 WO claimed
US-8222262-B2 Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH A/S (DK) 2012-07-17 US disclosed
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-12-31 US disclosed
CN-101516873-A Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH AS (DK) 2009-08-26 CN disclosed
EP-2074113-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NeuroSearch A/S (DK) 2009-07-01 EP disclosed
WO-2008040753-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-04-10 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-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS KCND2, KCNN3, KCNJ2 ROCK1 2501/4885PIK3CA 1401/4885PIK3CB 1428/4885

“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.