SCHEMBL8441002

SCHEMBL8441002

O=C(Nc1ccc(OCCCNCCF)cc1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 3/20 0.41
HTT P42858 4/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
SCN10A Q9Y5Y9 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
DHODH Q02127 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
SCHEMBL6095558 0.90 MAPT (0.46) MAPTTP53HTTRECQLSMN1; SMN2
SCHEMBL6095790 0.90 MAPT (0.46) MAPTTP53HTTRECQLALDH1A1
Hydrochloric Acid SCHEMBL6094614 0.89 MAPT (0.46) MAPTTP53HTTRECQLALDH1A1
SCHEMBL6093255 0.89 MAPT (0.38) MAPTTP53HTTRECQLALDH1A1
SCHEMBL6095972 0.88 MAPT (0.39) MAPTTP53HTTRECQLNPC1
SCHEMBL6094153 0.88 MAPT (0.44) MAPTTP53HTTRECQLNPC1
SCHEMBL6105353 0.88 MAPT (0.44) MAPTTP53HTTRECQLALDH1A1
SCHEMBL6093280 0.88 TP53 (0.43) MAPTTP53HTTRECQLALDH1A1
SCHEMBL6095531 0.88 MAPT (0.43) MAPTTP53HTTRECQLALDH1A1
SCHEMBL6093068 0.87 MAPT (0.42) MAPTTP53HTTRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAPT 2027/4885TP53 4832/4885HTT 3543/4885

“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.