SCHEMBL13323482

SCHEMBL13323482

CCCCCN(c1ccc(N)cc1)c1ccc(S)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
PSMD14 O00487 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 3/20 0.34

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
Hydrochloric Acid SCHEMBL3130161 0.98 MAPT (0.41) MAPTCYP3A4ALDH1A1TDP1MAPK1
SCHEMBL8641903 0.89 MAPT (0.47) MAPTCYP3A4ALDH1A1TDP1MAPK1
SCHEMBL707809 0.85 MAPT (0.55) MAPTCYP3A4ALDH1A1TDP1MAPK1
SCHEMBL2440814 0.84 ALDH1A1 (0.53) MAPTCYP3A4ALDH1A1TDP1MAPK1
SCHEMBL3885331 0.83 ALDH1A1 (0.52) MAPTCYP3A4ALDH1A1TDP1MAPK1
SCHEMBL295156 0.83 ALDH1A1 (0.52) MAPTCYP3A4ALDH1A1TDP1MAPK1
SCHEMBL8678729 0.83 ALDH1A1 (0.52) MAPTCYP3A4ALDH1A1TDP1MAPK1
SCHEMBL294907 0.83 ALDH1A1 (0.52) MAPTCYP3A4ALDH1A1TDP1MAPK1
SCHEMBL2444795 0.79 ALDH1A1 (0.55) MAPTCYP3A4ALDH1A1TDP1MAPK1
Aniline SCHEMBL28090769 0.77 KCNH2 (0.47) MAPTCYP3A4ALDH1A1TDP1L3MBTL1

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
WO-2010053902-A2 TRYPTASE ENZYME INHIBITING AMINOTHIOPHENOLS HERBALSCIENCE GROUP, LLC (US) 2010-05-14 WO disclosed
US-20100113608-A1 Tryptase Enzyme Inhibiting Aminothiophenols HERBALSCIENCE GROUP, LLC 2010-05-06 US disclosed
US-20100113608-A1 Tryptase Enzyme Inhibiting Aminothiophenols HERBALSCIENCE GROUP, LLC 2010-05-06 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-20100113608-A1 Tryptase Enzyme Inhibiting Aminothiophenols TPSG1, TPSB2, TPSAB1 MAPT 940/4885CYP3A4 812/4885ALDH1A1 2039/4885

“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.