SCHEMBL6095645

SCHEMBL6095645

CCC(NC)Oc1cccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 2/20 0.38
MAPK14 Q16539 2/20 0.37
PARP1 P09874 3/20 0.37
BRD4 O60885 3/20 0.37
CREBBP Q92793 3/20 0.37
PLAU P00749 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7366681 0.84 TP53 (0.57) TP53SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7367184 0.84 BRD4 (0.48) TP53SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7399600 0.82 TP53 (0.55) TP53SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6095650 0.81 LMNA (0.44) TP53SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7442137 0.80 TP53 (0.39) TP53SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6092202 0.80 ALDH1A1 (0.42) TP53SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6093090 0.80 LMNA (0.45) TP53BRD4CREBBPLMNA
SCHEMBL6093368 0.80 LMNA (0.45) TP53SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6094240 0.80 MAOB (0.45) TP53SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6093161 0.80 MAOB (0.41) TP53RAB9AMAPTBRD4CREBBP

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 TP53 4107/4885SMN1; SMN2 1456/4885NPC1 1693/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 TP53 4841/4885SMN1; SMN2 2512/4885NPC1 2021/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 TP53 4832/4885SMN1; SMN2 2431/4885NPC1 1723/4885

“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.