SCHEMBL3340033

SCHEMBL3340033

C[C@H](O)c1cc(C(N)=O)c(Br)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA3 P07451 6/20 0.40
CA6 P23280 6/20 0.40
CA7 P43166 6/20 0.40
CA5B Q9Y2D0 6/20 0.40
CA12 O43570 5/20 0.40
CA4 P22748 5/20 0.40
CA9 Q16790 5/20 0.40
CA13 Q8N1Q1 5/20 0.40
CA14 Q9ULX7 5/20 0.40
CA5A P35218 3/20 0.40
PDE2A O00408 1/20 0.36
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
NNMT P40261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 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
SCHEMBL3342762 1.00 CA1 (0.40) CA1CA2CA3CA6CA7
SCHEMBL3341566 1.00 CA1 (0.40) CA1CA2CA3CA6CA7
SCHEMBL3342235 0.78 CA12 (0.46) CA1CA2CA3CA6CA7
SCHEMBL3342774 0.75 PDE2A (0.40) PDE2AKMT2AALDH1A1GAAPOLB
SCHEMBL1099954 0.75 PDE2A (0.40) PDE2AKMT2AALDH1A1GAAPOLB
SCHEMBL3340038 0.75 PDE2A (0.40) PDE2AKMT2AALDH1A1GAAPOLB
SCHEMBL3342503 0.75 APLNR (0.35) CA1CA2CA3CA6CA7
SCHEMBL3341117 0.74 CA12 (0.43) CA1CA2CA3CA6CA7
SCHEMBL3342012 0.73 CA1 (0.56) CA1CA2CA3CA6CA7
SCHEMBL3339243 0.73 CA12 (0.46) CA1CA2CA3CA6CA7

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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP 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 (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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 CA1 4329/4885CA2 3152/4885CA3 3500/4885

“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.