SCHEMBL3556450

SCHEMBL3556450

c1ccc2c(c1)NCCS2

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.96
ALDH1A1 P00352 4/20 0.96
MEN1 O00255 4/20 0.96
KMT2A Q03164 4/20 0.96
RYR2 Q92736 2/20 0.48
MAPT P10636 4/20 0.39
ALOX12 P18054 2/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL88911 1.00 GAA (0.96) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL29364653 1.00 GAA (0.96) GAAALDH1A1MEN1KMT2ARYR2
Oxalic Acid SCHEMBL27314622 0.89 ALDH1A1 (0.76) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL1395667 0.87 ALDH1A1 (0.74) GAAALDH1A1MEN1KMT2ARYR2
Bromide SCHEMBL9143254 0.85 ALDH1A1 (0.71) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL4488535 0.85 ALDH1A1 (0.71) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL13646789 0.81 GAA (0.65) GAAALDH1A1MEN1KMT2ARYR2
SCHEMBL1367372 0.75 MEN1 (0.58) GAAALDH1A1MEN1KMT2ARYR2
Bromide SCHEMBL11683988 0.74 ALDH1A1 (0.57) GAAALDH1A1MEN1KMT2ARYR2
Hydrochloric Acid SCHEMBL29051623 0.74 ALDH1A1 (0.63) GAAALDH1A1MEN1KMT2ARYR2

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-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 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-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 GAA 208/4885ALDH1A1 222/4885MEN1 2843/4885

“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.