SCHEMBL8288449

SCHEMBL8288449

Fc1ccc(-c2cc(CS)on2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
NOTUM Q6P988 4/20 0.47
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
DRD3 P35462 5/20 0.45
EPHX2 P34913 1/20 0.45
PTGS2 P35354 1/20 0.44
CXCR1 P25024 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 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
SCHEMBL2906099 0.82 NOTUM (0.70) NPC1RAB9ASMN1; SMN2MAPTNOTUM
SCHEMBL102268 0.82 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTNOTUM
SCHEMBL8288256 0.82 NOTUM (0.70) NPC1RAB9ASMN1; SMN2MAPTNOTUM
SCHEMBL103310 0.82 NOTUM (0.70) NPC1RAB9ASMN1; SMN2MAPTNOTUM
SCHEMBL19261295 0.81 NOTUM (0.68) NPC1RAB9ASMN1; SMN2MAPTNOTUM
Hydrochloric Acid SCHEMBL21776875 0.81 NOTUM (0.68) NPC1RAB9ASMN1; SMN2MAPTNOTUM
SCHEMBL14829453 0.79 NOTUM (0.53) NPC1RAB9ASMN1; SMN2MAPTNOTUM
SCHEMBL1456855 0.79 NOTUM (0.53) NPC1RAB9ASMN1; SMN2MAPTNOTUM
SCHEMBL14829400 0.78 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTNOTUM
SCHEMBL13844529 0.78 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTNOTUM

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 NPC1 325/4885RAB9A 1595/4885SMN1; SMN2 661/4885
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 NPC1 2407/4885RAB9A 2889/4885SMN1; SMN2 564/4885

“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.