SCHEMBL6094035

SCHEMBL6094035

CCN(CC)CCCNC(=O)COc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
KIT P10721 1/20 0.36
BRAF P15056 1/20 0.36
MCHR1 Q99705 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BUB1 O43683 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC2A1 P11166 1/20 0.35
FFAR1 O14842 2/20 0.35
CHRNA7 P36544 1/20 0.35
KCNH2 Q12809 1/20 0.35
AXL P30530 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL6094985 0.88 KDR (0.39) KDRKMT2AKDM4EALDH1A1MCHR1
SCHEMBL6095684 0.88 FFAR1 (0.39) KDRALDH1A1HTTBUB1FFAR1
SCHEMBL6093901 0.87 KMT2A (0.45) KMT2AKDM4EALDH1A1MCHR1
SCHEMBL6094231 0.84 AXL (0.38) KDRALDH1A1HTTLMNASMN1; SMN2
SCHEMBL6094454 0.83 KCNQ3 (0.42) KDRKMT2AALDH1A1HTTLMNA
SCHEMBL6094495 0.82 FFAR1 (0.45) BUB1FFAR1AXLBRD4
SCHEMBL6092101 0.81 BRD4 (0.39) KDRKMT2AKDM4EALDH1A1HTT
SCHEMBL6092968 0.81 KDR (0.51) KDRMCHR1AXLBRD4
SCHEMBL6094246 0.80 KDR (0.39) KDRKMT2AKDM4EHTTMCHR1
SCHEMBL4322760 0.79 KDR (0.38) KDRALDH1A1HTTMCHR1BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US claimed
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-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-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 KDR 2313/4885KMT2A 1847/4885KDM4E 835/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KDR 3570/4885KMT2A 1807/4885KDM4E 1753/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KDR 3491/4885KMT2A 1954/4885KDM4E 1895/4885

“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.