SCHEMBL8288231

SCHEMBL8288231

O=C(NCCS)c1ccc(Cl)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
NAPRT Q6XQN6 1/20 0.51
MDM4 O15151 1/20 0.51
TP53 P04637 1/20 0.51
MDM2 Q00987 1/20 0.51
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
EGFR P00533 1/20 0.48
DGAT1 O75907 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL20641182 0.84 RAB9A (0.65) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL3407381 0.84 RAB9A (0.65) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL12308270 0.83 HPGDS (0.51) RAB9ASMN1; SMN2NPC1
SCHEMBL4043558 0.83 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL20460467 0.80 NPC1 (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL9183141 0.80 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL7545567 0.80 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL3407375 0.80 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL16964682 0.80 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL7549059 0.80 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1

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

“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.