SCHEMBL3342855

SCHEMBL3342855

Cc1ccc(-c2ccc[nH]c2=O)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
AURKA O14965 2/20 0.47
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 2/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 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
SCHEMBL3342848 0.80 NPC1 (0.41) NPC1RAB9AATMERAP1ALDH1A1
SCHEMBL30104779 0.77 AURKA (0.47) AURKAAURKBINCENPNPC1RAB9A
SCHEMBL5505270 0.77 AURKA (0.47) AURKAAURKBINCENPNPC1RAB9A
SCHEMBL13736614 0.75 AURKA (0.52) AURKAAURKBINCENPNPC1RAB9A
SCHEMBL12987176 0.75 TNKS (0.44) AURKAAURKBINCENPNPC1RAB9A
SCHEMBL6569203 0.75 FYN (0.46) AURKBNPC1RAB9AATMERAP1
SCHEMBL3802241 0.73 ALDH1A1 (0.52) LMNATSHRNPC1RAB9AALDH1A1
SCHEMBL3344619 0.73 LMNA (0.50) LMNATSHRAURKAAURKBINCENP
SCHEMBL3346060 0.73 BRD4 (0.43) LMNATSHRAURKAAURKBINCENP
SCHEMBL28664983 0.71 GSTP1 (0.58) TSHRNPC1RAB9AATMERAP1

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 LMNA 2330/4885TSHR 1051/4885AURKA 3118/4885

“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.