SCHEMBL8288457

SCHEMBL8288457

SCc1noc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.70
NPC1 O15118 8/20 0.62
RAB9A P51151 7/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 4/20 0.59
NR1H4 Q96RI1 1/20 0.51
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 2/20 0.45
MAPT P10636 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
SCHEMBL19810876 0.84 NOTUM (0.72) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL7810523 0.84 NOTUM (0.72) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL19627022 0.82 NOTUM (0.70) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL23451512 0.82 NOTUM (1.00) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL7254229 0.81 NOTUM (0.68) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL25914392 0.76 NOTUM (0.65) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL19555887 0.75 NR1H4 (0.59) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL15104707 0.74 NOTUM (0.59) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL8488178 0.74 NOTUM (0.59) NOTUMNPC1RAB9AHTTL3MBTL1
SCHEMBL30792125 0.73 NOTUM (0.61) NOTUMNPC1RAB9AHTTL3MBTL1

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-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 NOTUM 3731/4885NPC1 325/4885RAB9A 1595/4885
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G NOTUM 4473/4885NPC1 2407/4885RAB9A 2889/4885

“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.