SCHEMBL6519756

SCHEMBL6519756

Cc1ccc(-n2c(=O)cc[nH]c2=O)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
AHR P35869 1/20 0.34
HSP90AA1 P07900 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
SIRT3 Q9NTG7 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KIF5C O60282 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL6519759 0.80 MAPT (0.49) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL7522262 0.75 PARP1 (0.48) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL9878672 0.73 TDP1 (0.56) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL10649612 0.72 CYP4F2 (0.48) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL5325747 0.72 F2 (0.47) ALDH1A1HPGDALOX15TSHRMEN1
SCHEMBL3340313 0.71 CRBN (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6522040 0.70 F10 (0.43) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3346082 0.69 KMT2A (0.44) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3342210 0.69 ALDH1A1 (0.49) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL3342474 0.68 POLB (0.47) ALDH1A1HPGDALOX15TSHRMEN1

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 ALDH1A1 1357/4885HPGD 1322/4885ALOX15 3719/4885

“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.