SCHEMBL6198859

SCHEMBL6198859

O=[N+]([O-])c1ccccc1NCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.80
MAPT P10636 7/20 0.68
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 5/20 0.63
LMNA P02545 2/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 2/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
CASP7 P55210 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 2/20 0.57
IDO1 P14902 1/20 0.55

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
SCHEMBL7170020 0.92 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6200169 0.92 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12515298 0.91 KAT2B (0.69) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7167935 0.91 KAT2B (0.69) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8720672 0.90 KAT2B (0.78) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6198359 0.90 KAT2B (0.78) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29941483 0.89 KAT2B (1.00) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4077151 0.89 KAT2B (0.66) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2023820 0.89 KAT2B (0.66) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL110446 0.89 KAT2B (0.66) KAT2BMAPTNPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091942-B1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH AS (DK) 2005-03-30 EP disclosed
US-6569880-B2 Guanidine derivatives NEUROSEARCH A/S (DK) 2003-05-27 US disclosed
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US disclosed
US-6380180-B1 BENZIMIDAZOLE COMPOUNDS FOR TREATMENT OF ASTHMA, VASOSPASM, MEMORY LOSS, MIGRAINE AND OTHERS DISEASES ASSOCIATED WITH POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2002-04-30 US disclosed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US disclosed
US-6194447-B1 ASTHMA, ANTICONVULSANTS, COGNITION ACTIVATORS, BRAIN DISORDERS, PSYCHOLOGICAL DISORDERS, CARDIOVASCULAR DISORDERS,GASTROINTESTINAL DISORDERS NEUROSEARCH A/S (DK) 2001-02-27 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-20020137784-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 KAT2B 851/4885MAPT 918/4885NPC1 770/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 KAT2B 851/4885MAPT 918/4885NPC1 770/4885

“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.