SCHEMBL19484227

SCHEMBL19484227

COc1cc(C(=O)NCC(C)(C)O)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 2/20 0.41
HPGD P15428 5/20 0.40
SCN9A Q15858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL19484230 0.89 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484173 0.86 RAB9A (0.38) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484165 0.86 SLC6A5 (0.46) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484183 0.84 RAB9A (0.39) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484180 0.84 KDM4E (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484167 0.83 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484164 0.83 SLC6A5 (0.41) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484175 0.83 RAB9A (0.39) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484179 0.82 RAB9A (0.38) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19484166 0.81 HPGD (0.38) RAB9ANPC1SMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 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-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 RAB9A 753/4885NPC1 3696/4885SMN1; SMN2 1274/4885

“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.