SCHEMBL4896581

SCHEMBL4896581

O=[N+]([O-])c1ccc(-c2ccccn2)nc1Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
MITF O75030 1/20 0.52
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
HTT P42858 3/20 0.49
NOD2 Q9HC29 1/20 0.49
GAA P10253 1/20 0.49
MECP2 P51608 1/20 0.45
KCNN1 Q92952 1/20 0.45
KCNN2 Q9H2S1 1/20 0.45
MBD2 Q9UBB5 1/20 0.45
KCNN3 Q9UGI6 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44

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
SCHEMBL14213076 0.86 MECP2 (0.45) KDM4EMAPTLMNAALDH1A1NPC1
SCHEMBL4892092 0.83 MAPT (0.55) KDM4EMAPTLMNAALDH1A1NPC1
SCHEMBL29695546 0.81 NPC1 (0.62) KDM4EMAPTLMNAALDH1A1NPC1
SCHEMBL6804094 0.80 MAPT (0.60) KDM4EMAPTLMNAALDH1A1NPC1
SCHEMBL4900015 0.76 MECP2 (0.50) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL14182367 0.76 MECP2 (0.50) KDM4EMAPTLMNAALDH1A1NPC1
SCHEMBL4900438 0.74 MEN1 (0.57) KDM4EMAPTLMNAALDH1A1NPC1
SCHEMBL11845660 0.73 MAPT (0.52) KDM4EMAPTLMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL4902758 0.73 SMN1; SMN2 (0.61) KDM4EMAPTLMNAALDH1A1NPC1
SCHEMBL4901928 0.72 MEN1 (0.48) KDM4EMAPTLMNAALDH1A1NPC1

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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 KDM4E 542/4885MAPT 2710/4885LMNA 3338/4885

“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.