SCHEMBL3612904

SCHEMBL3612904

CCC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C#N)COC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3620703 0.88 AAK1 (0.34) AAK1SMN1; SMN2
SCHEMBL3619979 0.86 HSD17B10 (0.35) ANO1SMN1; SMN2
SCHEMBL3613987 0.85 SMN1; SMN2 (0.36) AAK1SMN1; SMN2
SCHEMBL535142 0.80 AAK1 (0.31) AAK1SMN1; SMN2
SCHEMBL535141 0.80 AAK1 (0.31) AAK1SMN1; SMN2
SCHEMBL13077738 0.78 ANO1 (0.31) ANO1
SCHEMBL14762938 0.78 ANO1 (0.31) ANO1
SCHEMBL13077956 0.77 EGLN1 (0.32) SMN1; SMN2
SCHEMBL3617277 0.77 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL14763113 0.76 ALDH1A1 (0.42) ANO1SMN1; SMN2

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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 AAK1 4095/4885ANO1 674/4885SMN1; SMN2 3466/4885

“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.