SCHEMBL6092894

SCHEMBL6092894

CC(C)C(NCCCOc1cccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.38
MET P08581 4/20 0.36
NR1H4 Q96RI1 4/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NSD2 O96028 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
SCHEMBL6092202 0.94 ALDH1A1 (0.42) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6094729 0.89 MAOB (0.41) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6095481 0.89 MAPT (0.42) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6094240 0.89 MAOB (0.45) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6095650 0.89 LMNA (0.44) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6093999 0.88 MAOB (0.43) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6095687 0.87 MAOB (0.42) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6092362 0.87 MAOB (0.42) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6092881 0.86 THRB (0.45) TP53THRBALDH1A1MAOBLMNA
SCHEMBL6093141 0.86 KDM4E (0.42) TP53THRBALDH1A1MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 US claimed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US claimed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US claimed
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
US-6515140-B2 Psychological disorders; sleep disorders; anticonvulsants; cognition activators; drug abruse NEUROGEN CORPORATION 2003-02-04 US disclosed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US disclosed
US-6211365-B1 BRAIN DISORDERS NEUROGEN CORPORATION 2001-04-03 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 (3 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 TP53 4107/4885THRB 426/4885ALDH1A1 2117/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 TP53 4841/4885THRB 221/4885ALDH1A1 2009/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 TP53 4832/4885THRB 221/4885ALDH1A1 1833/4885

“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.