SCHEMBL13030801

SCHEMBL13030801

CC(C)N1CCN(c2nc3ccc(/C(N)=N/O)cc3s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
TP53 P04637 2/20 0.47
MITF O75030 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPK1 P28482 3/20 0.44
OGA O60502 1/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
AR P10275 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3468792 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL3468972 0.82 NPC1 (0.69) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL3468789 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ATP53MITF
Dimethylamine SCHEMBL5134860 0.80 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL3468820 0.80 NPC1 (0.53) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL14403376 0.79 RAB9A (0.65) SMN1; SMN2NPC1RAB9AOGAHTT
SCHEMBL14917116 0.79 AR (0.65) SMN1; SMN2NPC1RAB9ATP53OGA
SCHEMBL3468605 0.78 HPGD (0.69) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL5134861 0.77 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL3468647 0.76 HPGD (0.73) SMN1; SMN2NPC1RAB9AMAPK1HTT

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-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity VTVX HOLDINGS II LLC 2013-03-28 US disclosed
US-8394842-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2013-03-12 US disclosed
US-8394842-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2013-03-12 US disclosed
US-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HIGH POINT PHARMACEUTICALS, LLC 2010-11-25 US disclosed
US-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HIGH POINT PHARMACEUTICALS, LLC 2010-11-25 US disclosed
WO-2007110364-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-04 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-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 SMN1; SMN2 4655/4885NPC1 3350/4885RAB9A 3540/4885
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 SMN1; SMN2 4563/4885NPC1 3474/4885RAB9A 3387/4885

“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.