SCHEMBL6095650

SCHEMBL6095650

CNCCCOc1cccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NSD2 O96028 1/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 2/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.40
MET P08581 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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 0.91 ALDH1A1 (0.42) LMNAKDM4ESMN1; SMN2ALDH1A1NSD2
SCHEMBL6094240 0.91 MAOB (0.45) LMNASMN1; SMN2ALDH1A1THRBTP53
SCHEMBL6095481 0.91 MAPT (0.42) LMNAKDM4ESMN1; SMN2ALDH1A1THRB
SCHEMBL6092881 0.90 THRB (0.45) LMNAKDM4EALDH1A1THRBTP53
SCHEMBL6092794 0.89 THRB (0.47) LMNAKDM4EALDH1A1THRBTP53
SCHEMBL6095543 0.89 THRB (0.47) LMNAALDH1A1THRBTP53MAOB
SCHEMBL6093368 0.89 LMNA (0.45) LMNASMN1; SMN2ALDH1A1THRBTP53
SCHEMBL6093999 0.89 MAOB (0.43) LMNAKDM4ESMN1; SMN2ALDH1A1NSD2
SCHEMBL6092894 0.89 TP53 (0.40) LMNAKDM4ESMN1; SMN2ALDH1A1NSD2
SCHEMBL6093361 0.88 ALDH1A1 (0.42) LMNAKDM4ESMN1; SMN2ALDH1A1THRB

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 9 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-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 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 LMNA 1133/4885KDM4E 835/4885SMN1; SMN2 1456/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 LMNA 3196/4885KDM4E 1753/4885SMN1; SMN2 2512/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 LMNA 3033/4885KDM4E 1895/4885SMN1; SMN2 2431/4885

“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.