SCHEMBL6093280

SCHEMBL6093280

CCNCCCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 3/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
STAT3 P40763 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
SCHEMBL6095616 0.97 TP53 (0.44) TP53MAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6094646 0.96 TP53 (0.43) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6095941 0.95 MAPT (0.42) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6094153 0.93 MAPT (0.44) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6105353 0.93 MAPT (0.44) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6095558 0.91 MAPT (0.46) TP53MAPTSMN1; SMN2HTTRECQL
SCHEMBL6095790 0.91 MAPT (0.46) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6095356 0.90 TP53 (0.43) TP53MAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6094614 0.90 MAPT (0.46) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6094308 0.90 TP53 (0.40) TP53MAPTSMN1; SMN2NPC1RAB9A

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 4107/4885MAPT 456/4885SMN1; SMN2 1456/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 TP53 4841/4885MAPT 1980/4885SMN1; SMN2 2512/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 TP53 4832/4885MAPT 2027/4885SMN1; 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.