SCHEMBL3403225

SCHEMBL3403225

COc1ccccc1CNc1ccc2cc(NC(=O)NC3CCN(CCSC)CC3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CXCR3 P49682 3/20 0.46
MCHR1 Q99705 1/20 0.42
EPHX2 P34913 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
HTR1A P08908 5/20 0.41
HTR7 P34969 3/20 0.41
CHEK1 O14757 1/20 0.40
IKBKB O14920 1/20 0.40
AURKA O14965 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FGFR1 P11362 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
SCHEMBL3407582 0.91 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1CXCR3MCHR1EPHX2
SCHEMBL3408293 0.91 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1CXCR3MCHR1EPHX2
SCHEMBL3406201 0.90 CHEK1 (0.49) SMN1; SMN2NPSR1CXCR3MCHR1EPHX2
SCHEMBL3402633 0.87 EPHX2 (0.44) SMN1; SMN2NPSR1CXCR3MCHR1EPHX2
SCHEMBL3407930 0.86 ALDH1A1 (0.49) SMN1; SMN2NPSR1CXCR3MCHR1EPHX2
SCHEMBL3402689 0.85 EPHX2 (0.51) SMN1; SMN2NPSR1EPHX2HIF1A
SCHEMBL3401779 0.85 EPHX2 (0.51) SMN1; SMN2NPSR1EPHX2HIF1A
SCHEMBL3404931 0.83 EPHX2 (0.49) SMN1; SMN2NPSR1EPHX2
SCHEMBL3412958 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1CXCR3EPHX2UBE2M
SCHEMBL3408431 0.78 CXCR3 (0.47) SMN1; SMN2NPSR1CXCR3EPHX2SIGMAR1

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
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP claimed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO claimed
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B SMN1; SMN2 1126/4885NPSR1 46/4885CXCR3 1561/4885

“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.