SCHEMBL1107836

SCHEMBL1107836

Cc1cc(C)cc(CC(NC2=NCCS2)c2cc(C)ccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
KDM4E B2RXH2 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPY1R P25929 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 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
SCHEMBL1107835 0.91 RAB9A (0.46) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1107839 0.90 SMN1; SMN2 (0.38) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1107811 0.88 SMN1; SMN2 (0.39) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14095777 0.85 SMN1; SMN2 (0.37) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL229249 0.84 RAB9A (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL27866325 0.83 SMN1; SMN2 (0.46) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1107871 0.82 NPC1 (0.42) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12264048 0.82 NPC1 (0.40) GAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1107842 0.81 KMT2A (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1107843 0.81 SMN1; SMN2 (0.38) GAAALDH1A1SMN1; SMN2NPC1RAB9A

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 5 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
WO-2008104503-A1 PESTICIDAL ACTIVE MIXTURES COMPRISING AMINOTHIAZOLINE COMPOUNDS BASF SE (DE) 2008-09-04 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 (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 GAA 2032/4885ALDH1A1 1845/4885SMN1; 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.