SCHEMBL1107818

SCHEMBL1107818

COc1ccc(OC)c(C(Cc2cc(C)cc(C)c2)NC2=NCCS2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
NPC1 O15118 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 5/20 0.47
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.37

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
SCHEMBL1107837 0.91 GAA (0.48) GAANPC1ALDH1A1KMT2AKDM4E
SCHEMBL14095751 0.90 ATM (0.43) GAANPC1ALDH1A1KMT2AKDM4E
SCHEMBL1107828 0.89 GAA (0.43) GAANPC1ALDH1A1KMT2AKDM4E
SCHEMBL12313125 0.86 NPC1 (0.42) GAANPC1ALDH1A1KMT2AKDM4E
SCHEMBL27947152 0.81 RAB9A (0.45) GAANPC1ALDH1A1KMT2AKDM4E
SCHEMBL14095752 0.80 NPC1 (0.42) GAANPC1ALDH1A1KMT2AKDM4E
SCHEMBL1107808 0.80 NPC1 (0.42) GAANPC1ALDH1A1KMT2AKDM4E
SCHEMBL27866325 0.78 SMN1; SMN2 (0.46) GAANPC1ALDH1A1KDM4ERAB9A
SCHEMBL1096470 0.77 ATM (0.41) NPC1ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL1107842 0.76 KMT2A (0.46) NPC1ALDH1A1KMT2AKDM4ERAB9A

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 2032/4885NPC1 2442/4885ALDH1A1 1845/4885

“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.