SCHEMBL13868069

SCHEMBL13868069

C=C(C)OC(=O)NCc1ncc(C)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC40A1 Q9NP59 3/20 0.31
PDE2A O00408 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL25680841 0.78 NPSR1 (0.44) P2RX3P2RX2MAPTRAB9A
SCHEMBL13309400 0.76 P2RX3 (0.39) P2RX3P2RX2MAPTRAB9A
SCHEMBL23868211 0.70 SMN1; SMN2 (0.59) HSD17B10MAPTRAB9A
SCHEMBL22281955 0.69 ALDH1A1 (0.50)
SCHEMBL8202022 0.68 EPHX2 (0.45) MAPTRAB9A
SCHEMBL3696695 0.66 EGLN1 (0.43) HSD17B10TDP1MAPTRAB9A
SCHEMBL13542055 0.66 KMT2A (0.63) HSD17B10
SCHEMBL824789 0.66
SCHEMBL10093682 0.64 KDM4E (0.33)
SCHEMBL12457570 0.64 HSP90AB1 (0.41) HSD17B10MAPTRAB9A

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-20090118507-A1 Method for Preparing (3-Chloro-4-Fluorophenyl)-(4-Fluoro-4--Piperidin-1-Yl)-Methanone and Novel Intermediate Pyrimidine Derivatives PIERRE FABRE MEDICAMENT (FR) 2009-05-07 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-20090118507-A1 Method for Preparing (3-Chloro-4-Fluorophenyl)-(4-Fluoro-4--Piperidin-1-Yl)-Methanone and Novel Intermediate Pyrimidine Derivatives DNMT1, MCM4, MCM5 P2RX3 1415/4885P2RX2 1652/4885HSD17B10 2198/4885

“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.