SCHEMBL3613987

SCHEMBL3613987

CCC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
AAK1 Q2M2I8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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 0.89 AAK1 (0.34) SMN1; SMN2CYP1A2CYP3A4CYP2C19AAK1
SCHEMBL14762851 0.86 SMN1; SMN2 (0.35) SMN1; SMN2NPSR1ALDH1A1MAPTMEN1
SCHEMBL535142 0.86 AAK1 (0.31) SMN1; SMN2AAK1MAPT
SCHEMBL535141 0.86 AAK1 (0.31) SMN1; SMN2AAK1MAPT
SCHEMBL3612904 0.85 AAK1 (0.32) SMN1; SMN2AAK1
SCHEMBL3727671 0.85 SMN1; SMN2 (0.34) SMN1; SMN2NPSR1ALDH1A1ADORA3ADORA2A
SCHEMBL3617277 0.84 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPSR1
SCHEMBL29814914 0.83 ALDH1A1 (0.39) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPSR1
SCHEMBL154893 0.83 ALDH1A1 (0.39) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPSR1
SCHEMBL4951293 0.80 ALDH1A1 (0.31) NPSR1ALDH1A1

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 SMN1; SMN2 3466/4885CYP1A2 5/4885CYP3A4 10/4885

“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.