SCHEMBL3342952

SCHEMBL3342952

Cc1ccc(-c2ccc(C)c(C(N)=O)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.46
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
PARP1 P09874 2/20 0.44
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NNMT P40261 2/20 0.42
JAK2 O60674 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HPGDS O60760 1/20 0.40
KDM1A O60341 1/20 0.40
PIK3CB P42338 1/20 0.40
PTGS2 P35354 1/20 0.39
SYK P43405 1/20 0.39
GRIA2 P42262 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
SCHEMBL3466788 0.83 CASP1 (0.50) P2RX7PARP1NNMTMKNK1MKNK2
SCHEMBL3467721 0.82 CASP1 (0.49) P2RX7PARP1SIRT3TDP1JAK2
SCHEMBL3342845 0.82 ABL1 (0.45) P2RX7PARP1SIRT3TDP1NNMT
SCHEMBL3346928 0.78 SIRT3 (0.53) SIRT3TDP1NNMTMKNK1MKNK2
SCHEMBL3347858 0.77 P2RX7 (0.44) P2RX7PARP1SIRT3TDP1NNMT
SCHEMBL2485266 0.77 KDM1A (0.59) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL16542435 0.77 CCR1 (0.58) P2RX7CCR1CCR5CCR8HDAC6
SCHEMBL30470933 0.77 CCR1 (0.58) P2RX7CCR1CCR5CCR8HDAC6
SCHEMBL3342956 0.76 CYP11B1 (0.52) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL3346810 0.75 MKNK1 (0.52) PARP1SIRT3TDP1NNMTJAK2

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 P2RX7 8/4885CCR1 1724/4885CCR5 1380/4885

“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.