SCHEMBL6095735

SCHEMBL6095735

O=C(Nc1ccc(OCCNC2CC2)cc1)c1c[nH]c2c1C(=O)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
FOXM1 Q08050 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
SCHEMBL6093102 0.98 KDM4E (0.41) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6093431 0.97 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6095816 0.94 KDM4E (0.47) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6092464 0.94 KDM4E (0.46) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL8258281 0.93 SMN1; SMN2 (0.41) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6094372 0.93 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6094238 0.87 ALDH1A1 (0.40) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6093282 0.87 TP53 (0.38) KDM4ETP53SMN1; SMN2MAPTNPC1
SCHEMBL6093361 0.86 ALDH1A1 (0.42) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6093281 0.86 TP53 (0.38) TP53SMN1; SMN2MAPTNPC1RAB9A

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 7 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-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

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 KDM4E 835/4885ALDH1A1 2117/4885KMT2A 1847/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KDM4E 1753/4885ALDH1A1 2009/4885KMT2A 1807/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KDM4E 1895/4885ALDH1A1 1833/4885KMT2A 1954/4885

“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.