SCHEMBL3433581

SCHEMBL3433581

COc1cccc2c1C(Nc1ccc3cc(NC(=O)NC4CC5CCCC(C4)N5C)ccc3n1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HTR3A P46098 3/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 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
SCHEMBL3433579 1.00 NPC1 (0.43) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL3415077 0.98 NPC1 (0.44) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL3410230 0.96 HTR3A (0.41) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL3430017 0.89 NPC1 (0.45) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL3432212 0.87 NPC1 (0.44) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL3433103 0.87 NPC1 (0.44) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL3429172 0.87 NPC1 (0.44) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL3432219 0.87 NPC1 (0.44) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL4111495 0.87 NPY1R (0.38) NPC1MAPTKMT2AALDH1A1MEN1
SCHEMBL4111494 0.87 NPY1R (0.38) NPC1MAPTKMT2AALDH1A1MEN1

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 NPC1 2931/4885MAPT 2836/4885KMT2A 822/4885

“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.