Sugi Predict

Sugi Predict / Compounds / SCHEMBL1742301

SCHEMBL1742301

SCHEMBL1742301

[CH2]CNC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ EPHX2 P34913 1/20 0.60
▸ NR1H4 Q96RI1 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC5 Q9UQL6 1/20 0.58
▸ MMP13 P45452 1/20 0.57
▸ HIF1A Q16665 1/20 0.55
▸ LMNA P02545 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
SCHEMBL289887 0.88 GAA (0.68) NPC1RAB9AEPHX2SMN1; SMN2HDAC3
SCHEMBL5612077 0.82 DRD2 (0.64) NPC1RAB9AEPHX2NR1H4CTDSP1
SCHEMBL19734509 0.81 NPC1 (0.63) NPC1RAB9AEPHX2NR1H4CTDSP1
SCHEMBL17952395 0.81 NPC1 (0.60) NPC1RAB9AEPHX2NR1H4CTDSP1
SCHEMBL4530808 0.81 NPC1 (0.63) NPC1RAB9AEPHX2NR1H4CTDSP1
SCHEMBL71847 0.81 KDM4E (0.65) NPC1RAB9AEPHX2NR1H4CTDSP1
SCHEMBL28137151 0.80 PLK1 (0.58) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL6716169 0.79 NPC1 (0.66) NPC1RAB9AEPHX2NR1H4CTDSP1
SCHEMBL539059 0.79 EPHX2 (0.84) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL23014298 0.78 RAB9A (0.61) NPC1RAB9AEPHX2NR1H4CTDSP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 — — US disclosed
US-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 — — US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 — — 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-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 — — US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 — — US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 — — EP disclosed
CN-101410385-B Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS LLC 2011-08-24 — — CN disclosed
US-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HIGH POINT PHARMACEUTICALS, LLC 2010-11-25 — — US disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 — — US disclosed
CN-101410385-A Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS LLC (US) 2009-04-15 — — CN disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 — — EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 — — WO disclosed
EP-1999120-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY High Point Pharmaceuticals, LLC (US) 2008-12-10 — — EP disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 — — EP disclosed
WO-2007110364-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-04 — — WO disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 — — WO disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 — — US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 — — 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 (5 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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 NPC1 2646/4885RAB9A 4607/4885EPHX2 1931/4885
US-20100298316-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 NPC1 3350/4885RAB9A 3540/4885EPHX2 720/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 NPC1 2646/4885RAB9A 4607/4885EPHX2 1931/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E NPC1 3251/4885RAB9A 442/4885EPHX2 4015/4885
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 NPC1 3474/4885RAB9A 3387/4885EPHX2 965/4885

“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.