SCHEMBL1719602

SCHEMBL1719602

NC(=O)c1ccc(Br)cc1C(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
POLB P06746 2/20 0.70
PTGDR2 Q9Y5Y4 1/20 0.54
ALDH1A1 P00352 2/20 0.52
DGAT1 O75907 1/20 0.51
PARP1 P09874 1/20 0.50
AKR1C3 P42330 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.49
ADORA2A P29274 1/20 0.49
CASP1 P29466 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL30016780 1.00 MAPT (0.70) MAPTPOLBPTGDR2ALDH1A1DGAT1
SCHEMBL27636077 0.93 MAPT (0.70) MAPTPOLBPTGDR2ALDH1A1DGAT1
SCHEMBL3422610 0.86 MAPT (0.69) MAPTPOLBPTGDR2ALDH1A1AKR1C3
SCHEMBL28422608 0.82 KDM4E (0.62) MAPTPOLBALDH1A1PARP1AKR1C3
SCHEMBL26738 0.82 MAPT (1.00) MAPTPOLBPTGDR2ALDH1A1AKR1C3
SCHEMBL4704774 0.82 MAPT (0.69) MAPTPOLBPTGDR2ALDH1A1AKR1C3
SCHEMBL29979531 0.82 MAPT (1.00) MAPTPOLBPTGDR2ALDH1A1AKR1C3
SCHEMBL31554990 0.82 MAPT (0.64) MAPTPOLBPTGDR2ALDH1A1AKR1C3
SCHEMBL2344362 0.81 DGAT1 (0.67) MAPTPOLBALDH1A1DGAT1PARP1
SCHEMBL1362703 0.81 MAPT (0.77) MAPTPOLBPTGDR2ALDH1A1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
CN-1711250-A Benzoxazocines and their use as monoamine-reuptake inhibitors ARAKIS LTD (GB) 2005-12-21 CN disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 MAPT 3256/4885POLB 3025/4885PTGDR2 656/4885

“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.