SCHEMBL6092843

SCHEMBL6092843

Nc1cccc(NCCCn2ccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 3/20 0.54
QPCT Q16769 9/20 0.52
ALDH1A1 P00352 3/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CLK1 P49759 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
ILK Q13418 1/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2539814 0.79 SOD1 (0.57) SOD1QPCTALOX15
Hydrochloric Acid SCHEMBL5191266 0.77 SOD1 (0.56) SOD1QPCTALDH1A1POLBALOX15
SCHEMBL11495035 0.77 SOD1 (0.67) SOD1QPCTALDH1A1GSK3AGSK3B
SCHEMBL7970502 0.76 QPCT (0.63) SOD1QPCTALDH1A1GSK3AGSK3B
SCHEMBL28803051 0.76 CYP19A1 (0.49)
SCHEMBL5903394 0.76 NPC1 (0.55) SOD1QPCTALDH1A1ALOX15L3MBTL1
Fumaric Acid SCHEMBL9849283 0.75 MEN1 (0.49) SOD1ALDH1A1KDM4EPOLBHSD17B10
Hydrochloric Acid SCHEMBL3872082 0.75 QPCT (0.62) SOD1QPCTALDH1A1GSK3AGSK3B
SCHEMBL5033308 0.74 SOD1 (0.52) SOD1QPCTALDH1A1GSK3AGSK3B
SCHEMBL29062412 0.73 QPCT (0.69) SOD1QPCTALDH1A1GSK3AGSK3B

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 2 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 disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 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 (1 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 SOD1 3929/4885QPCT 1903/4885ALDH1A1 2117/4885

“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.