SCHEMBL6093584

SCHEMBL6093584

CCCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP3 P42574 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
KDM4E B2RXH2 1/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL6095975 0.92 MAPT (0.40) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL5735674 0.79 MAPT (0.43) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6092075 0.78 HCAR3 (0.40) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6096011 0.78 BUB1 (0.35) TP53BUB1
SCHEMBL6093288 0.78 ROCK2 (0.39) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6095531 0.78 MAPT (0.43) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6093234 0.78 KMT2A (0.46) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6093301 0.78 BUB1 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3BUB1
SCHEMBL7392174 0.77 TP53 (0.52) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL6093483 0.77 HCAR3 (0.43) ALDH1A1NPSR1KDM4EMAPTBUB1

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-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 SMN1; SMN2 1456/4885NPC1 1693/4885RAB9A 3322/4885

“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.