SCHEMBL6522385

SCHEMBL6522385

CN1C=C(C(=O)O)[C@@H](c2ccccc2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 5/20 0.44
ADORA3 P0DMS8 1/20 0.44
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6518201 1.00 KMT2A (0.47) KMT2AMEN1LMNAADORA3P2RX7
SCHEMBL6518195 1.00 KMT2A (0.47) KMT2AMEN1LMNAADORA3P2RX7
SCHEMBL16323142 0.88 KMT2A (0.45) KMT2AMEN1LMNAADORA3P2RX7
SCHEMBL1225559 0.86 P2RX7 (0.50) KMT2AMEN1P2RX7ALDH1A1TDP1
Hydrochloric Acid SCHEMBL1225887 0.85 P2RX7 (0.49) KMT2AMEN1P2RX7ALDH1A1TDP1
Hydrochloric Acid SCHEMBL1225886 0.85 P2RX7 (0.49) KMT2AMEN1P2RX7ALDH1A1TDP1
SCHEMBL6519200 0.84 TDP1 (0.49) KMT2AMEN1LMNAP2RX7ALDH1A1
SCHEMBL6519197 0.84 TDP1 (0.49) KMT2AMEN1LMNAP2RX7ALDH1A1
SCHEMBL7661275 0.80 ADRA1A (0.48) KMT2AMEN1P2RX7TSHR
SCHEMBL1225883 0.73 P2RX7 (0.49) P2RX7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US claimed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 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-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 KMT2A 3668/4885MEN1 2873/4885LMNA 2432/4885

“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.