SCHEMBL7104470

SCHEMBL7104470

NC(=Nc1cc(CS)ccc1Cl)N1CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
PDE4B Q07343 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SPR P35270 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AVPR2 P30518 2/20 0.40
AVPR1A P37288 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL6770333 0.85 GPBAR1 (0.49) SIGMAR1MAPTTDP1GPBAR1SMN1; SMN2
SCHEMBL7101845 0.84 HDAC8 (0.35) SIGMAR1MAPTALDH1A1LMNAKMT2A
SCHEMBL7101931 0.84 KMT2A (0.41) MAPTLMNAKMT2ANOTUM
SCHEMBL7104957 0.82 SIGMAR1 (0.50) SIGMAR1MAPTTDP1PDE4BALDH1A1
SCHEMBL7026550 0.79 MAPT (0.43) SIGMAR1MAPTTDP1PDE4BALDH1A1
SCHEMBL6775304 0.78 MAPT (0.54) SIGMAR1MAPTTDP1LMNAGPBAR1
SCHEMBL6775636 0.78 MAPT (0.48) SIGMAR1MAPTTDP1PDE4BALDH1A1
SCHEMBL6769888 0.77 SIGMAR1 (0.53) SIGMAR1MAPTTDP1SMN1; SMN2SPR
SCHEMBL6774952 0.75 MAPT (0.55) SIGMAR1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL6769257 0.74 SIGMAR1 (0.50) SIGMAR1MAPTTDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO 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 (2 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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885MAPT 122/4885TDP1 297/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885MAPT 122/4885TDP1 297/4885

“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.