SCHEMBL6095975

SCHEMBL6095975

CCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
RAB9A P51151 5/20 0.40
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 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
SCHEMBL6093584 0.92 SMN1; SMN2 (0.45) MAPTRAB9ATP53SMN1; SMN2NPC1
SCHEMBL7392174 0.85 TP53 (0.52) MAPTRAB9ATP53SMN1; SMN2NPC1
SCHEMBL6096011 0.84 BUB1 (0.35) TP53MEN1KMT2A
SCHEMBL7363009 0.83 TP53 (0.55) MAPTRAB9ATP53SMN1; SMN2NPC1
SCHEMBL7216265 0.82 NPC1 (0.38) MAPTRAB9ATP53SMN1; SMN2NPC1
SCHEMBL7363435 0.80 DHODH (0.41) MAPTTP53LMNAKDM4EMEN1
SCHEMBL6093288 0.80 ROCK2 (0.39) MAPTRAB9ATP53SMN1; SMN2NPC1
SCHEMBL7367184 0.80 BRD4 (0.48) MAPTRAB9ATP53SMN1; SMN2NPC1
SCHEMBL6093234 0.79 KMT2A (0.46) RAB9ATP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL7392263 0.78 GSK3B (0.46) MAPTSMN1; SMN2KDM4EMEN1KMT2A

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 MAPT 456/4885RAB9A 3322/4885TP53 4107/4885

“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.