SCHEMBL13115359

SCHEMBL13115359

CCc1c[nH]c(-c2ccc(C)nc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
HPGDS O60760 1/20 0.41
TDO2 P48775 1/20 0.40
MAPK1 P28482 1/20 0.39
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PDPK1 O15530 3/20 0.34
GRM5 P41594 1/20 0.33
CRHR1 P34998 1/20 0.33
MTOR P42345 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33

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
SCHEMBL7486822 0.75 ALDH1A1 (0.39) NPC1PKMRAB9AMAPK1PDPK1
SCHEMBL2821562 0.75 KDM4E (0.39) NPC1PKMRAB9AMAPK1
SCHEMBL2652520 0.75
SCHEMBL2780530 0.74 POLB (0.41) NPC1RAB9AHPGDSPDPK1MTOR
SCHEMBL10177816 0.73 NPC1 (0.44) NPC1PKMRAB9AHPGDSTDO2
SCHEMBL12359395 0.72 OXTR (0.41) MAPK1
SCHEMBL9145018 0.71 RAB9A (0.48) NPC1RAB9A
SCHEMBL12374645 0.71 MAPT (0.51) NPC1RAB9AMAPK1
SCHEMBL13115364 0.71 NPC1 (0.49) NPC1PKMRAB9AHPGDSTDO2
SCHEMBL5561443 0.70 NPBWR1 (0.32) NPC1RAB9AHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 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 (1 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 NPC1 1736/4885PKM 1434/4885RAB9A 1677/4885

“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.