SCHEMBL3614403

SCHEMBL3614403

CC(=O)OCOc1ccc2ncc(Br)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
F2 P00734 1/20 0.50
GLA P06280 1/20 0.50
PDE3B Q13370 6/20 0.44
PDE3A Q14432 6/20 0.44
P2RY12 Q9H244 5/20 0.44
APP P05067 1/20 0.39
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MALT1 Q9UDY8 1/20 0.36
PDE10A Q9Y233 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3150403 0.83 ALDH1A1 (0.67) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL20869368 0.81 PDGFRB (0.46) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL3613071 0.80 PDE3B (0.43) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL3616022 0.80 PDE3B (0.45) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL27775618 0.80 CYP3A4 (0.43) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL3611213 0.78 ALDH1A1 (0.47) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL3615704 0.78 ALDH1A1 (0.33) ALDH1A1HPGDF2GLALMNA
SCHEMBL31716011 0.78 PDE3B (0.47) ALDH1A1HPGDPDE3BPDE3APDGFRB
SCHEMBL26681624 0.78 PDE3B (0.47) ALDH1A1HPGDPDE3BPDE3APDGFRB
SCHEMBL27932593 0.77 KMT2A (0.49) ALDH1A1HPGDF2GLAPDGFRB

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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 ALDH1A1 350/4885HPGD 3828/4885F2 4394/4885

“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.