SCHEMBL633429

SCHEMBL633429

COc1cc2cc(Br)cnc2c(C)c1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
PRNP P04156 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NQO2 P16083 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE10A Q9Y233 3/20 0.35
PDGFRB P09619 6/20 0.34
PDGFRA P16234 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL633788 0.79 LMNA (0.44) PRNPNPSR1SMN1; SMN2
SCHEMBL23958814 0.77 ALDH1A1 (0.46) ALDH1A1MAPTPRNPNPSR1RXFP1
SCHEMBL12074836 0.73 ALDH1A1 (0.42) ALDH1A1MAPTPRNPNPSR1RXFP1
SCHEMBL633372 0.73 KDM4E (0.32) NPSR1
SCHEMBL3214568 0.72 PDGFRB (0.52) PDGFRBPDGFRA
SCHEMBL1929063 0.72 PDE2A (0.38) ALDH1A1MAPTPRNPNPSR1RXFP1
SCHEMBL27908746 0.71 CCR1 (0.42) ALDH1A1MAPTNPSR1NPC1SMN1; SMN2
SCHEMBL19782756 0.71 MAPT (0.38) ALDH1A1MAPTPRNPNPSR1RXFP1
SCHEMBL22559292 0.71 EGFR (0.36) NQO2NPC1PDE10A
SCHEMBL8501715 0.70 PDGFRB (0.56) PDGFRBPDGFRA

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
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
EP-2231614-B1 Quinoline derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-22 EP disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 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-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 ALDH1A1 350/4885MAPT 3438/4885PRNP 3769/4885

“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.