SCHEMBL3347102

SCHEMBL3347102

COC(=O)c1c(Cl)ccc(N)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
GAA P10253 5/20 0.41
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 4/20 0.41
CFTR P13569 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PRKCZ Q05513 1/20 0.40
KDM4E B2RXH2 6/20 0.40
RAB9A P51151 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39

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
SCHEMBL30582332 0.82 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL6137831 0.82 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL8295820 0.82 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL30279379 0.82 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL31636585 0.81 ABL1 (0.45) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL543638 0.81 ABL1 (0.45) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL15727852 0.79 ALDH1A1 (0.41) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL11325751 0.79 ABL1 (0.46) ABL1GAAALDH1A1HSD17B10CFTR
Hydrochloric Acid SCHEMBL11327052 0.77 ABL1 (0.45) ABL1GAAALDH1A1HSD17B10CFTR
SCHEMBL6828169 0.76 ABL1 (0.44) ABL1GAAALDH1A1HSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US 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
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS 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-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 ABL1 3113/4885GAA 4305/4885ALDH1A1 1147/4885

“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.