SCHEMBL17548684

SCHEMBL17548684

COc1ccc2c(-c3ccccc3)c(-c3cnn[nH]3)c(N3CCCCC3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.43
FABP5 Q01469 5/20 0.43
CYP2D6 P10635 5/20 0.43
CYP2C9 P11712 4/20 0.43
FABP3 P05413 3/20 0.43
TOP1 P11387 2/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPY5R Q15761 2/20 0.42
NPSR1 Q6W5P4 3/20 0.42
STAT6 P42226 1/20 0.42
CYP3A4 P08684 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL14927304 0.83 FABP4 (0.45) FABP4FABP5CYP2D6CYP2C9FABP3
SCHEMBL14917294 0.81 FABP4 (0.67) FABP4FABP5CYP2D6CYP2C9FABP3
SCHEMBL14917256 0.77 ADORA2A (0.56) CYP2D6CYP2C9KDM4EALDH1A1NPSR1
SCHEMBL28364890 0.67 ESR1 (0.63) CYP2D6CYP2C9KDM4EALDH1A1NPSR1
SCHEMBL1382239 0.66 KCNA5 (0.53) CYP2D6CYP2C9KDM4EALDH1A1NPSR1
SCHEMBL30398802 0.64 FABP4 (0.77) FABP4FABP5CYP2D6CYP2C9FABP3
SCHEMBL1385352 0.64 KCNA5 (0.53) CYP2D6CYP2C9KDM4EALDH1A1NPSR1
SCHEMBL14916969 0.64 ALDH1A1 (0.41) CYP2D6CYP2C9KDM4EALDH1A1NPY5R
SCHEMBL28876756 0.64 HPGD (0.67) CYP2C9KDM4EALDH1A1NPY5RNPSR1
SCHEMBL8140706 0.63 CCR4 (0.56) KDM4EALDH1A1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 US disclosed
US-20160060270-A1 New Aryl-Quinoline Derivatives HOFFMANN-LA ROCHE INC. 2016-03-03 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-20160060270-A1 New Aryl-Quinoline Derivatives FABP1, FABP4, FABP5 FABP4 2/4885FABP5 3/4885CYP2D6 1542/4885

“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.