SCHEMBL8288255

SCHEMBL8288255

O=C(CS)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
ALDH1A1 P00352 7/20 0.55
MAPT P10636 4/20 0.55
PLCG1 P19174 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CNR2 P34972 1/20 0.47
RECQL P46063 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
SCHEMBL8288257 0.88 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL25037396 0.86 ACHE (0.57) ACHEALDH1A1MAPTPLCG1CYP1A2
SCHEMBL3000567 0.85 ACHE (0.56) ACHEALDH1A1MAPTPLCG1CYP1A2
SCHEMBL25037229 0.85 ACHE (0.56) ACHEALDH1A1MAPTPLCG1CYP1A2
SCHEMBL30038413 0.85 ACHE (0.56) ACHEALDH1A1MAPTPLCG1CYP1A2
SCHEMBL9824604 0.84 ALDH1A1 (0.59) ACHEALDH1A1MAPTPLCG1CYP1A2
SCHEMBL31504049 0.82 ACHE (0.54) ACHEALDH1A1MAPTPLCG1CYP1A2
SCHEMBL10628943 0.81 ACHE (0.53) ACHEALDH1A1MAPTPLCG1CYP1A2
SCHEMBL31090296 0.80 ALDH1A1 (0.59) ACHEALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL22057590 0.80 ALDH1A1 (0.59) ACHEALDH1A1MAPTCYP1A2CYP3A4

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 ACHE 989/4885ALDH1A1 3706/4885MAPT 490/4885
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 ACHE 189/4885ALDH1A1 756/4885MAPT 427/4885

“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.