SCHEMBL1107808

SCHEMBL1107808

COc1ccc(Br)c(C(Cc2cccc(C)c2)NC2=NCCS2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 3/20 0.41
TSHR P16473 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NPY1R P25929 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
SCHEMBL1107828 0.91 GAA (0.43) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL1107837 0.89 GAA (0.48) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL14095752 0.89 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL1107835 0.79 RAB9A (0.46) NPC1RAB9ASMN1; SMN2GAATSHR
SCHEMBL12313125 0.79 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL1107850 0.79 L3MBTL1 (0.41) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL1107819 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL1107849 0.77 SMN1; SMN2 (0.37) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL1107807 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL1107871 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153560-B2 Pesticidal active mixtures comprising aminothiazoline compounds BASF SE (DE) 2012-04-10 US disclosed
US-8153560-B2 Pesticidal active mixtures comprising aminothiazoline compounds BASF SE (DE) 2012-04-10 US disclosed
US-20100056469-A1 Pesticidal Active Mixtures Comprising Aminothiazoline Compounds BASF SE (DE) 2010-03-04 US disclosed
US-20100056469-A1 Pesticidal Active Mixtures Comprising Aminothiazoline Compounds BASF SE (DE) 2010-03-04 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-20100056469-A1 Pesticidal Active Mixtures Comprising Aminothiazoline Compounds ACHE, PTMS, CHRM3 NPC1 2442/4885RAB9A 2591/4885SMN1; SMN2 4497/4885

“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.