SCHEMBL6693554

SCHEMBL6693554

Cc1ccc(NC(=O)Nc2ncc(CNc3nncs3)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
OGA O60502 3/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 2/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1342702 0.87 MAPK14 (0.40) SMN1; SMN2NPC1RAB9AMAPK14MAPK13
SCHEMBL1343774 0.85 LCK (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPK14
SCHEMBL1342742 0.85 OGA (0.41) SMN1; SMN2NPC1RAB9AOGAMAPK14
SCHEMBL1342766 0.84 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AOGAALDH1A1
SCHEMBL1342719 0.84 KDR (0.45) OGANPSR1MAPK14MAPK13MAPT
SCHEMBL1344039 0.83 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AOGAALDH1A1
SCHEMBL1341014 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AOGAMAPK14
SCHEMBL1343232 0.83 CNR1 (0.42) SMN1; SMN2NPC1RAB9AOGAALDH1A1
SCHEMBL1341749 0.83 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AOGAALDH1A1
SCHEMBL4470766 0.82 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AOGAALDH1A1

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 SMN1; SMN2 2958/4885NPC1 2201/4885RAB9A 3353/4885

“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.