SCHEMBL3339243

SCHEMBL3339243

NC(=O)c1cc(O)c(Cl)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA3 P07451 4/20 0.46
CA4 P22748 4/20 0.46
CA6 P23280 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA13 Q8N1Q1 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
CA5A P35218 3/20 0.46
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3342235 0.85 CA12 (0.46) CA12CA1CA2CA3CA4
SCHEMBL28701968 0.81 CA12 (0.42) CA12CA1CA2CA3CA4
SCHEMBL3339247 0.78 CA1 (0.41) CA12CA1CA2CA3CA4
SCHEMBL3339250 0.78 DGAT1 (0.47) CA12CA1CA2CA3CA4
SCHEMBL3344860 0.78 LCK (0.51) KMT2AHPGDTSHRKDM4EALDH1A1
SCHEMBL30462870 0.78 LCK (0.51) KMT2AHPGDTSHRKDM4EALDH1A1
SCHEMBL16644420 0.78 DGAT1 (0.46) CA12CA1CA2CA3CA4
SCHEMBL3344285 0.77 CA12 (0.40) CA12CA1CA2CA3CA4
SCHEMBL3341117 0.77 CA12 (0.43) CA12CA1CA2CA3CA4
SCHEMBL3661250 0.77 HSP90AA1 (0.52) CA12CA1CA2CA3CA4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 CA12 4856/4885CA1 4329/4885CA2 3152/4885
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 CA12 4677/4885CA1 3455/4885CA2 2323/4885

“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.