SCHEMBL5447115

SCHEMBL5447115

COc1ccc(-c2cn(-c3ccc(C)cc3)c(-c3ccccc3OC)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
LMNA P02545 2/20 0.51
AVPR2 P30518 1/20 0.49
OXTR P30559 1/20 0.49
AVPR1A P37288 1/20 0.49
PTGS2 P35354 1/20 0.47
MAPK1 P28482 1/20 0.45
ALDH1A3 P47895 3/20 0.44
KDM4E B2RXH2 3/20 0.43
PKM P14618 2/20 0.43
EPHX2 P34913 1/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CCKAR P32238 1/20 0.42
CNR1 P21554 1/20 0.42
USP2 O75604 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL30872059 0.79 NPC1 (0.68) RAB9AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL5440906 0.78 CNR1 (0.50) SMN1; SMN2AVPR2OXTRAVPR1APTGS2
Bromide SCHEMBL10012835 0.76 RAB9A (0.50) RAB9AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL5449238 0.75 PTGS2 (0.48) RAB9AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL8673615 0.74 PTGS2 (0.62) PTGS2CNR1PTGS1
SCHEMBL5440875 0.74 CNR1 (0.55) SMN1; SMN2LMNAPTGS2KDM4EHPGD
SCHEMBL16469037 0.72 CACNA1B (0.42) RAB9AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL5445432 0.71 GABRA2 (0.66) MAPTPTGS2CNR1KMT2A
SCHEMBL20253515 0.71 PTGS2 (0.42) RAB9AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL5450853 0.70 CNR1 (0.51) MAPTSMN1; SMN2LMNAPTGS2ALDH1A1

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-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070191448-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-16 US disclosed
US-20070191448-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-16 US disclosed
US-20070191448-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-16 US disclosed
EP-1722786-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005086902-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 RAB9A 1595/4885MAPT 490/4885SMN1; SMN2 661/4885
US-20070191448-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 RAB9A 1595/4885MAPT 490/4885SMN1; SMN2 661/4885

“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.