SCHEMBL19484202

SCHEMBL19484202

COc1cc(C(=O)NCCN(C)C)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.44
HPGD P15428 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL19484200 0.93 RAB9A (0.48) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL19484225 0.91 NPC1 (0.46) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL19484204 0.88 RAB9A (0.45) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL19484201 0.84 RAB9A (0.48) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL19484216 0.82 NPC1 (0.46) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL19484190 0.81 RAB9A (0.44) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL2360704 0.81 LMNA (0.57) CYP2D6RAB9ASMN1; SMN2NPC1TP53
SCHEMBL19484197 0.80 RAB9A (0.49) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL2360702 0.79 USP2 (0.46) CYP2D6RAB9ASMN1; SMN2NPC1TP53
SCHEMBL19484180 0.79 KDM4E (0.45) CYP2D6RAB9ASMN1; SMN2NPC1TP53

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 CYP2D6 2918/4885RAB9A 753/4885SMN1; 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.