SCHEMBL6697415

SCHEMBL6697415

Cc1ccc(NC(=O)Nc2ncc(CSc3ccccc3)s2)c(OCC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
LPAR1 Q92633 2/20 0.40
SIRT2 Q8IXJ6 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
AURKA O14965 1/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1342714 0.92 SMN1; SMN2 (0.45) HTTSIRT2KMT2AL3MBTL1ALDH1A1
SCHEMBL1342415 0.92 MAPK14 (0.41) LPAR1SIRT2KMT2AL3MBTL1ALDH1A1
SCHEMBL1341593 0.91 CCNE2 (0.36) LPAR1SIRT2CCNE1CDK2RAB9A
SCHEMBL1343806 0.91 SIRT2 (0.39) HTTSIRT2CCNE1CDK2CDK5
SCHEMBL1342940 0.89 FFAR1 (0.38) HTTSIRT2KMT2AL3MBTL1ALDH1A1
SCHEMBL1343060 0.89 MAPT (0.43) LPAR1SIRT2KMT2AALDH1A1MEN1
SCHEMBL1341537 0.85 MYC (0.41) HTTKMT2AMYCMAXMEN1
SCHEMBL2660405 0.85 SMN1; SMN2 (0.39) HTTSIRT2KMT2AL3MBTL1ALDH1A1
SCHEMBL1342497 0.85 ITGB1 (0.42) LPAR1CCNE1CDK2CDK5KMT2A
SCHEMBL2662424 0.85 FFAR1 (0.38) SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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 (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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 HTT 1077/4885LPAR1 4314/4885SIRT2 94/4885

“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.