SCHEMBL6229213

SCHEMBL6229213

CCOc1ccc2nc(NC(=O)CC)sc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.82
NPC1 O15118 6/20 0.82
RAB9A P51151 6/20 0.82
HSD17B10 Q99714 1/20 0.82
TP53 P04637 2/20 0.80
POLB P06746 2/20 0.80
MAPK1 P28482 2/20 0.80
ALDH1A1 P00352 1/20 0.80
HTT P42858 1/20 0.80
CSNK1D P48730 6/20 0.73
P2RY12 Q9H244 1/20 0.73
MAPT P10636 7/20 0.71
CASP3 P42574 1/20 0.71
SENP8 Q96LD8 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
SENP6 Q9GZR1 1/20 0.71
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
USP2 O75604 1/20 0.69
TDP1 Q9NUW8 1/20 0.69

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
SCHEMBL8353831 0.90 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL14202814 0.90 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL27022345 0.90 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL10576093 0.90 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL9332424 0.89 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL15376318 0.88 MAPT (0.78) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL8358016 0.87 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL9725030 0.85 NPC1 (0.74) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL17287673 0.85 CSNK1D (1.00) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL16299055 0.84 CSNK1D (1.00) SMN1; SMN2NPC1RAB9AHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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 (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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 SMN1; SMN2 4558/4885NPC1 6/4885RAB9A 2138/4885

“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.