SCHEMBL12901900

SCHEMBL12901900

CN1C=C(C(=O)O)C(c2ccccc2)N(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.44
TSHR P16473 3/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.35
CCR1 P32246 1/20 0.35
HHAT Q5VTY9 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL7660499 0.79 ADRA1D (0.43)
SCHEMBL6522385 0.72 KMT2A (0.47) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL6518201 0.72 KMT2A (0.47) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL6518195 0.72 KMT2A (0.47) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL23758001 0.71 HPGD (0.37) LMNARECQLTSHRKDM4EHPGD
SCHEMBL1461678 0.69 TSHR (0.46) LMNARECQLTSHRKDM4EMEN1
SCHEMBL10445960 0.69 KDM4E (0.43) LMNATSHRKDM4EMEN1KMT2A
SCHEMBL23776141 0.68 PRCP (0.42) KDM4E
SCHEMBL10540887 0.68 TSHR (0.47) LMNATSHRKDM4EHPGDALDH1A1
SCHEMBL1226766 0.67 ACHE (0.43) LMNAKDM4EHPGDALDH1A1GAA

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-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 LMNA 2432/4885RECQL 110/4885TSHR 462/4885

“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.