SCHEMBL3413243

SCHEMBL3413243

COc1c(Cl)cc(Cl)c2c1C(Nc1ccc3cc(NC(=O)NC(C)C)ccc3n1)CC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
KDR P35968 2/20 0.35
MCHR1 Q99705 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SLC2A1 P11166 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3411420 0.85 SMN1; SMN2 (0.40) MAPTPOLBRAB9AHTT
SCHEMBL3415253 0.82 NPY1R (0.36) NPY1RMAPTPOLBKDR
SCHEMBL3408465 0.80 NPY1R (0.44) NPY1R
SCHEMBL3429789 0.80 MAPT (0.39) MAPTPOLBALDH1A1HPGDSLC2A1
SCHEMBL3432566 0.79 HTR1A (0.35) MAPTPOLBMCHR1SLC2A1
SCHEMBL3412960 0.79 NPY1R (0.39) NPY1RMAPTPOLBKDR
SCHEMBL3406614 0.77 NPC1 (0.44) NPY1RMAPTALDH1A1RAB9A
SCHEMBL3413644 0.77 NPY1R (0.46) NPY1R
SCHEMBL3414719 0.76 NPY1R (0.45) NPY1R
SCHEMBL3410563 0.75 NPY1R (0.48) NPY1RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A NPY1R 93/4885MAPT 2836/4885POLB 4179/4885

“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.