SCHEMBL3341925

SCHEMBL3341925

NC(=O)c1ccc(CCO)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
DGAT1 O75907 1/20 0.41
ERN1 O75460 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL28277680 0.84 CNR1 (0.42) CA2ALDH1A1MAPTDGAT1ERN1
SCHEMBL27741358 0.84 ACMSD (0.46) CA2CA1CA12CA4CA6
SCHEMBL28276314 0.81 PPARA (0.48) CA2CA1CA12CA9ALDH1A1
SCHEMBL28277679 0.80 IKBKB (0.42) CA2ALDH1A1MAPTDGAT1ERN1
SCHEMBL5551094 0.79 SIRT1 (0.46) SIRT1CA2CA1CA12CA4
SCHEMBL30538662 0.78 CYP4A11 (0.54) CA2CA1CA12CA6CA5A
SCHEMBL4977889 0.75 KDM4E (0.65) CA2CA1CA12CA4CA6
SCHEMBL10756643 0.74 KDM4E (0.52) CA2CA1CA12CA4CA6
SCHEMBL27358817 0.73 CYP4A11 (0.53) SIRT1CA2CA1CA12CA6
SCHEMBL3085307 0.73 KDM4E (0.47) CA2CA1CA12CA4CA6

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 SIRT1 401/4885CA2 3152/4885CA1 4329/4885

“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.