SCHEMBL3409293

SCHEMBL3409293

COc1cccc2c1C(Nc1ccc3cc(NC(=O)NC4CCN(CCF)CC4)ccc3n1)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CXCR3 P49682 5/20 0.42
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3410235 0.96 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1CXCR3UBE2MDCUN1D1
SCHEMBL3413475 0.93 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1CXCR3UBE2MDCUN1D1
SCHEMBL3408518 0.93 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1CXCR3UBE2MDCUN1D1
SCHEMBL3408687 0.92 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1CXCR3UBE2MDCUN1D1
SCHEMBL3412100 0.92 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1CXCR3UBE2MDCUN1D1
SCHEMBL3412958 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1CXCR3UBE2MDCUN1D1
SCHEMBL3406470 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1CXCR3UBE2MDCUN1D1
SCHEMBL3414587 0.88 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1UBE2MDCUN1D1EPHX2
SCHEMBL3413525 0.87 MAPT (0.45) SMN1; SMN2NPSR1UBE2MDCUN1D1EPHX2
SCHEMBL3430017 0.87 NPC1 (0.45) SMN1; SMN2NPSR1CXCR3UBE2MDCUN1D1

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 8 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
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO 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 SMN1; SMN2 3345/4885NPSR1 47/4885CXCR3 1841/4885

“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.