SCHEMBL3661525

SCHEMBL3661525

Cc1ccc(-c2cc(N)n(C(C)(C)C)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.58
MAPT P10636 9/20 0.58
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
TP53 P04637 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 6/20 0.55
LMNA P02545 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
STAT1 P42224 1/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 6/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.45

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
SCHEMBL4714412 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL4494474 0.82 ALDH1A1 (0.52) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL4472873 0.82 RAB9A (0.58) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL4474644 0.82 NPY5R (0.44) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL23399650 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL4482332 0.79 MAPT (0.41) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL13974502 0.78 MAPT (0.66) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL28872528 0.75 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL29971943 0.75 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL27143654 0.75 RIPK2 (0.40) SMN1; SMN2MAPTNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 WO 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 (2 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 SMN1; SMN2 13/4885MAPT 8/4885NPC1 626/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SMN1; SMN2 69/4885MAPT 278/4885NPC1 9/4885

“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.