SCHEMBL6095595

SCHEMBL6095595

CCNCCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.40
NR4A2 P43354 3/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRBN Q96SW2 1/20 0.36
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
PPARG P37231 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
WDR5 P61964 1/20 0.34
HDAC1 Q13547 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL6092670 0.98 DHODH (0.42) DHODHNR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL6094311 0.92 DHODH (0.43) DHODHNR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL7364226 0.89 TP53 (0.42) DHODHNR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL6092550 0.89 DHODH (0.39) DHODHNR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL6092602 0.88 DHODH (0.38) DHODHNR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL7363435 0.87 DHODH (0.41) DHODHNR4A2SCN8ASCN10ATP53
SCHEMBL6095616 0.85 TP53 (0.44) NPC1RAB9ASMN1; SMN2SCN8ASCN10A
Hydrochloric Acid SCHEMBL6094646 0.84 TP53 (0.43) NPC1RAB9ASMN1; SMN2SCN8ASCN10A
SCHEMBL7359461 0.84 DHODH (0.44) DHODHNR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL6095941 0.83 MAPT (0.42) NPC1RAB9ASMN1; SMN2SCN8ASCN10A

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 DHODH 972/4885NR4A2 299/4885NPC1 1693/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 DHODH 2483/4885NR4A2 246/4885NPC1 2021/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 DHODH 2537/4885NR4A2 234/4885NPC1 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.