SCHEMBL13853239

SCHEMBL13853239

CCOC(=O)c1ccc(C(=O)OC)c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 10/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.45
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL5264558 0.98 CYP1A2 (0.53) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL13853230 0.92 CYP1A2 (0.59) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL14956928 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHSD17B10KDM4E
SCHEMBL13853237 0.86 CYP1A2 (0.56) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL27459666 0.86 ALDH1A1 (0.49) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL5262682 0.82 CYP1A2 (0.41) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL14967079 0.81 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL27486965 0.79 KDM4E (0.41) ALDH1A1MAPTLMNAHSD17B10KDM4E
SCHEMBL27907009 0.78 KDM4E (0.44) ALDH1A1MAPTHSD17B10KDM4EMAPK1
SCHEMBL510572 0.78 ALDH1A1 (0.54) CYP1A2ALDH1A1NPC1RAB9AMAPT

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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK CYP1A2 8/4885ALDH1A1 290/4885NPC1 3973/4885

“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.