SCHEMBL12756830

SCHEMBL12756830

Cc1cnsc1C(=O)Nc1csc(-c2cnc(N3CCCCC3)nc2C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN11 Q06124 1/20 0.35
BRAF P15056 2/20 0.33
ALDH1A1 P00352 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32

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
SCHEMBL15480663 0.88 MAPT (0.40) MAPTPOLBSMN1; SMN2
SCHEMBL12414207 0.85 POLB (0.42) MAPTPOLBSMN1; SMN2PTPN11ALDH1A1
SCHEMBL12756832 0.84 POLB (0.40) MAPTPOLBSMN1; SMN2PTPN11BRAF
SCHEMBL1490470 0.83 ANO1 (0.41) MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL15480665 0.82 MAPT (0.41) MAPTPOLBSMN1; SMN2PTPN11BRAF
SCHEMBL12756823 0.81 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1
SCHEMBL12756829 0.81 MAPT (0.44) MAPTPOLBSMN1; SMN2PTPN11BRAF
SCHEMBL12756807 0.81 MAPT (0.44) MAPTPOLBSMN1; SMN2BRAFALDH1A1
SCHEMBL12830911 0.80 SMN1; SMN2 (0.47) MAPTPOLBSMN1; SMN2BRAFALDH1A1
SCHEMBL14692953 0.73 SMN1; SMN2 (0.42) MAPTPOLBSMN1; SMN2PTPN11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 US 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885POLB 4774/4885SMN1; SMN2 854/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885POLB 4774/4885SMN1; SMN2 854/4885

“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.