SCHEMBL19484200

SCHEMBL19484200

COc1cc(C(=O)NCCCN(C)C)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.44
MCHR1 Q99705 2/20 0.44
SCN9A Q15858 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
FYN P06241 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 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
SCHEMBL19484225 0.97 NPC1 (0.46) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL19484202 0.93 CYP2D6 (0.47) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL19484201 0.88 RAB9A (0.48) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL19484216 0.86 NPC1 (0.46) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL19484197 0.84 RAB9A (0.49) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL19484204 0.84 RAB9A (0.45) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL19484194 0.82 RAB9A (0.50) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL19484190 0.80 RAB9A (0.44) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL17483171 0.79 POLB (0.49) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL19484067 0.79 THRB (0.53) RAB9ANPC1HPGDSMN1; SMN2POLB

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 3696/4885HPGD 2430/4885

“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.