SCHEMBL4352052

SCHEMBL4352052

O=P(O)(O)CN[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nnn[nH]1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 15/20 0.71
MME P08473 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
AGTR2 P50052 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
SCHEMBL13866598 1.00 ECE1 (0.71) ECE1MMEMEN1KMT2AAGTR2
SCHEMBL8921308 0.80 ECE1 (0.56) ECE1MMEAGTR2
SCHEMBL8921295 0.80 ECE1 (0.56) ECE1MMEAGTR2
SCHEMBL653011 0.79 ECE1 (0.67) ECE1MMEAGTR2
SCHEMBL653010 0.79 ECE1 (0.67) ECE1MMEAGTR2
SCHEMBL7962514 0.76 ECE1 (0.44) ECE1MMEMEN1KMT2A
SCHEMBL4558321 0.76 ECE1 (1.00) ECE1MMEMEN1KMT2A
SCHEMBL7697566 0.76 ECE1 (1.00) ECE1MMEMEN1KMT2A
SCHEMBL29353579 0.76 ECE1 (1.00) ECE1MMEMEN1KMT2A
SCHEMBL13034961 0.75 ECE1 (0.81) ECE1MMEMEN1KMT2A

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-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy BASF AKTIENGESELLSCHAFT (DE) 2009-12-17 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-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 ECE1 7/4885MME 436/4885MEN1 2943/4885

“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.