SCHEMBL7170398

SCHEMBL7170398

O=[N+]([O-])c1ccccc1Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.80
NPC1 O15118 3/20 0.80
CCR4 P51679 1/20 0.59
CSNK2A1 P68400 2/20 0.58
TP53 P04637 1/20 0.57
MAPT P10636 6/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
RECQL P46063 2/20 0.55
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
EIF4E P06730 1/20 0.52
CASP7 P55210 1/20 0.51

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
SCHEMBL1886477 0.92 NPC1 (0.80) L3MBTL1NPC1CCR4CSNK2A1TP53
SCHEMBL7166063 0.90 NPC1 (0.69) L3MBTL1NPC1MAPTMEN1KMT2A
SCHEMBL15096814 0.81 NPC1 (0.55) L3MBTL1NPC1CCR4CSNK2A1TP53
SCHEMBL5960388 0.80 L3MBTL1 (0.57) L3MBTL1NPC1CSNK2A1MAPTMEN1
SCHEMBL10120480 0.79 CSNK2A1 (0.62) L3MBTL1NPC1CCR4CSNK2A1TP53
SCHEMBL9380097 0.77 MAPT (0.55) L3MBTL1NPC1CSNK2A1TP53MAPT
SCHEMBL838060 0.77 RAB9A (0.58) L3MBTL1NPC1CCR4CSNK2A1MAPT
SCHEMBL29794263 0.76 MAPT (0.51) L3MBTL1NPC1TP53MAPTMEN1
SCHEMBL6804723 0.76 CSNK2A1 (0.60) L3MBTL1NPC1CSNK2A1TP53MAPT
SCHEMBL23742583 0.76 CCR4 (0.67) NPC1CCR4CSNK2A1MAPTMEN1

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 L3MBTL1 4190/4885NPC1 770/4885CCR4 1047/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 L3MBTL1 4190/4885NPC1 770/4885CCR4 1047/4885

“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.