SCHEMBL16440975

SCHEMBL16440975

CN1CCc2cc(/C=N\O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 3/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
BLM P54132 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
SCHEMBL14740994 1.00 ALDH1A1 (0.54) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL14740996 1.00 ALDH1A1 (0.54) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL14740917 0.90 ALDH1A1 (0.68) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL16440968 0.90 ALDH1A1 (0.68) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL14740918 0.90 ALDH1A1 (0.68) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL19832874 0.79 MAPT (0.57) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL29956835 0.79 ALDH1A1 (0.81) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL6600389 0.79 ALDH1A1 (0.81) ALDH1A1MAPTGAAMEN1HPGD
SCHEMBL16686672 0.78 MAOA (0.49)
SCHEMBL16686670 0.78 MAOA (0.49)

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP ALDH1A1 3792/4885MAPT 4110/4885GAA 91/4885

“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.