SCHEMBL6670448

SCHEMBL6670448

O=C(NCc1ccc(F)cc1)c1ccc2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.67
PLK1 P53350 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HDAC6 Q9UBN7 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
STAMBP O95630 1/20 0.56
COPS5 Q92905 1/20 0.56
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 3/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
ALOX15 P16050 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51

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
SCHEMBL13491424 0.93 CYP3A4 (0.61) EGLN1PLK1NPC1RAB9AHDAC6
SCHEMBL13491441 0.91 EGLN1 (0.57) EGLN1PLK1NPC1RAB9AHDAC6
SCHEMBL13491371 0.90 EGLN1 (0.82) EGLN1PLK1NPC1RAB9AHDAC6
SCHEMBL1680616 0.89 PLK1 (0.59) EGLN1PLK1NPC1RAB9AHDAC6
SCHEMBL13491355 0.89 PLK1 (0.59) EGLN1PLK1RAB9AHDAC6HTT
SCHEMBL3213042 0.88 PLK1 (0.62) EGLN1PLK1RAB9AHDAC6HTT
SCHEMBL13491369 0.88 EGLN1 (0.67) EGLN1PLK1HDAC6HTTSMN1; SMN2
SCHEMBL13491341 0.88 EGLN1 (0.61) EGLN1PLK1HDAC6HTTHDAC1
SCHEMBL13491677 0.88 POLB (0.60) EGLN1PLK1NPC1RAB9AHDAC6
SCHEMBL1680331 0.88 NPC1 (0.60) EGLN1PLK1NPC1RAB9AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX EGLN1 14/4885PLK1 3447/4885NPC1 1555/4885

“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.