SCHEMBL7167935

SCHEMBL7167935

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.69
ALDH1A1 P00352 7/20 0.64
MAPK1 P28482 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
CASP7 P55210 1/20 0.64
MAPT P10636 9/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
GAA P10253 3/20 0.51
POLB P06746 1/20 0.51
IDO1 P14902 1/20 0.49

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
SCHEMBL6198859 0.91 KAT2B (0.80) KAT2BALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL7170020 0.84 KAT2B (0.81) KAT2BALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL6200169 0.84 KAT2B (0.81) KAT2BALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL12515298 0.83 KAT2B (0.69) KAT2BALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL6198359 0.82 KAT2B (0.78) KAT2BALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL8720672 0.82 KAT2B (0.78) KAT2BALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL2977331 0.82 RAB9A (0.65) KAT2BALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL2977328 0.82 RAB9A (0.65) KAT2BALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL29941483 0.81 KAT2B (1.00) KAT2BALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL103245 0.81 KMT2A (0.63) KAT2BMAPK1L3MBTL1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP 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
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 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-20020137784-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 KAT2B 851/4885ALDH1A1 3057/4885MAPK1 2906/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 KAT2B 851/4885ALDH1A1 3057/4885MAPK1 2906/4885

“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.