SCHEMBL8288448

SCHEMBL8288448

O=C(CS)NCc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
GAA P10253 3/20 0.62
MAPT P10636 1/20 0.62
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL16610101 0.84 GAA (0.66) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL2695730 0.81 ALDH1A1 (0.58) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL1286082 0.81 GAA (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL20824968 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL1812216 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL25094969 0.81 ALDH1A1 (0.67) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL9329665 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL2695688 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL1185619 0.80 GAA (0.66) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL21065527 0.79 HTT (0.68) ALDH1A1GAAMAPTHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150198552-A9 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2015-07-16 US disclosed
US-20140311922-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2014-10-23 US disclosed
US-8734631-B2 Chemistry used in biosensors OHMX CORPORATION (US) 2014-05-27 US disclosed
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 ALDH1A1 3706/4885GAA 1560/4885MAPT 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 ALDH1A1 756/4885GAA 2648/4885MAPT 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.