SCHEMBL21780052

SCHEMBL21780052

O=C(Nc1ccc2c(c1)OCCO2)c1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.76
NPC1 O15118 14/20 0.76
SMN1; SMN2 Q16637 6/20 0.72
HSD17B10 Q99714 1/20 0.72
PKM P14618 3/20 0.71
NFKB1 P19838 2/20 0.71
NFKB2 Q00653 2/20 0.71
RELA Q04206 2/20 0.71
TP53 P04637 2/20 0.71
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
NPSR1 Q6W5P4 1/20 0.69
POLB P06746 1/20 0.68
MAPT P10636 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MAOB P27338 3/20 0.64
GAA P10253 1/20 0.64

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
SCHEMBL27181112 0.94 RAB9A (0.85) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL30926503 0.94 RAB9A (0.85) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL4486236 0.91 RAB9A (0.80) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL5173449 0.87 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL5171565 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL16621362 0.85 NPC1 (0.72) RAB9ANPC1SMN1; SMN2HSD17B10TP53
SCHEMBL5174946 0.84 RAB9A (0.75) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL5174923 0.84 NPC1 (0.84) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL5174929 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL8704332 0.84 RAB9A (0.78) RAB9ANPC1SMN1; SMN2HSD17B10PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 RAB9A 1093/4885NPC1 171/4885SMN1; SMN2 415/4885

“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.