SCHEMBL3342947

SCHEMBL3342947

Cc1ccc(=O)n(-c2ccc(C)c(C(N)=O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
PAX8 Q06710 1/20 0.38
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3342953 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL3343670 0.79 CA1 (0.47) ALDH1A1KMT2AMEN1HPGDCA1
SCHEMBL3346920 0.76 RAB9A (0.45) ALDH1A1L3MBTL1HPGDCA1CA2
SCHEMBL3342520 0.74 P2RX7 (0.47) ALDH1A1L3MBTL1HPGDCA1CA2
SCHEMBL3342210 0.72 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HPGDCA1
SCHEMBL29438150 0.72 BRD9 (0.52) ALDH1A1L3MBTL1KMT2ASMN1; SMN2MAPK1
SCHEMBL5733592 0.71 CDK8 (0.48) ALDH1A1KMT2AMEN1
SCHEMBL3348732 0.71 P2RX7 (0.58) KMT2AMEN1SMN1; SMN2RAB9ALMNA
SCHEMBL3346714 0.71 P2RX7 (0.50) ALDH1A1L3MBTL1HPGDSMN1; SMN2RAB9A
SCHEMBL3344595 0.71 L3MBTL1 (0.47) ALDH1A1L3MBTL1KMT2AMEN1HPGD

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 disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
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 (2 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 ALDH1A1 1506/4885L3MBTL1 4189/4885KMT2A 3250/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 ALDH1A1 1357/4885L3MBTL1 4473/4885KMT2A 3668/4885

“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.