SCHEMBL6492773

SCHEMBL6492773

O=C(O)c1c(Cl)nc2c(c1Cl)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
MAPK1 P28482 3/20 0.43
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PRNP P04156 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL10795106 0.77 ALDH1A1 (0.48) POLBL3MBTL1TDP1RECQLCASP6
SCHEMBL6501518 0.76 ACHE (0.48) POLBL3MBTL1TDP1RECQLMAPK1
SCHEMBL3884942 0.73 ACHE (0.56) MAPK1NSD2ALDH1A1TSHRKDM4E
SCHEMBL13982927 0.71 POLB (0.44) POLBL3MBTL1TDP1RECQLCASP6
SCHEMBL2708394 0.71 ACHE (0.56) MAPK1NSD2ALDH1A1TSHRKDM4E
SCHEMBL30681950 0.71 TDP1 (0.38) POLBL3MBTL1TDP1RECQLCASP6
SCHEMBL24581755 0.70 POLB (0.44) POLBL3MBTL1TDP1RECQLCASP6
SCHEMBL31266784 0.70 POLB (0.41) POLBL3MBTL1TDP1RECQLCASP6
SCHEMBL29056878 0.70 POLB (0.48) POLBL3MBTL1TDP1RECQLCASP6
SCHEMBL6494851 0.70 MAPK1 (0.43) L3MBTL1RECQLMAPK1NSD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020644-A1 Bicyclic fused pyridinyl amides and advantagesous compositons thereof for use as fungicides E.I. DU PONT DE NEMOURS AND COMPANY 2005-01-27 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-20050020644-A1 Bicyclic fused pyridinyl amides and advantagesous compositons thereof for use as fungicides CBR3, CBR1, PNPO POLB 2598/4885L3MBTL1 1274/4885TDP1 2647/4885

“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.