SCHEMBL6093068

SCHEMBL6093068

NCCCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 3/20 0.40
RECQL P46063 1/20 0.40
MELK Q14680 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHODH Q02127 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LTA4H P09960 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
SCHEMBL5734635 0.89 TP53 (0.41) MAPTTP53HTTRECQLNPC1
SCHEMBL5735674 0.89 MAPT (0.43) MAPTTP53HTTRECQLNPC1
SCHEMBL8441002 0.87 MAPT (0.41) MAPTTP53HTTRECQLNPC1
SCHEMBL6092697 0.87 MAPT (0.41) MAPTTP53HTTRECQLNPC1
SCHEMBL6094947 0.86 MAPT (0.42) MAPTTP53HTTRECQLNPC1
SCHEMBL6096171 0.86 MAPT (0.43) MAPTTP53HTTRECQLNPC1
SCHEMBL7392174 0.86 TP53 (0.52) MAPTTP53HTTNPC1RAB9A
SCHEMBL6095405 0.86 HRH3 (0.47) MAPTTP53HTTNPC1RAB9A
SCHEMBL6094483 0.85 TP53 (0.40) MAPTTP53HTTRECQLNPC1
SCHEMBL6092586 0.85 HRH3 (0.50) MAPTTP53LMNATSHR

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 MAPT 456/4885TP53 4107/4885HTT 1263/4885

“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.