SCHEMBL7168178

SCHEMBL7168178

N=C(NCc1ccc(CNC(=N)Nc2ccccc2)cc1)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
MAOA P21397 1/20 0.56
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.53
POLB P06746 3/20 0.53
ALOX12 P18054 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
CA9 Q16790 2/20 0.49
HTT P42858 1/20 0.49
PTPN1 P18031 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8741867 0.96 MAOB (0.61) MAOBMAOARAB9ANPC1MEN1
SCHEMBL4989466 0.87 RAB9A (0.54) MAOBMAOARAB9ANPC1MEN1
SCHEMBL4059253 0.82 NAMPT (0.61) RAB9ANPC1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8207688 0.82 TRPV1 (0.50) HTTALDH1A1
SCHEMBL8741863 0.81 TAS2R38 (0.46) MAOBMAOARAB9ANPC1MEN1
SCHEMBL1273847 0.81 ALDH1A1 (0.60) MAOBMAOAMEN1KMT2AHPGD
SCHEMBL14448336 0.80 LMNA (0.69) MAOBMAOARAB9ANPC1MEN1
SCHEMBL16692457 0.80 MEN1 (0.57) MAOBMAOARAB9ANPC1MEN1
SCHEMBL35172 0.78 HSD17B10 (0.55) MAOBMAOARAB9ANPC1MEN1
SCHEMBL20163213 0.78 HSD17B10 (0.55) MAOBMAOARAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US claimed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US claimed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP claimed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO claimed
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 MAOB 1599/4885MAOA 3034/4885RAB9A 2364/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 MAOB 1599/4885MAOA 3034/4885RAB9A 2364/4885

“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.