SCHEMBL4337346

SCHEMBL4337346

Cc1cccc(-c2c(-c3ccc4c(c3)OCO4)nc(C3CCN(C(=O)OCc4ccccc4)CC3)n2C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.42
TRPC7 Q9HCX4 2/20 0.42
TGFBR1 P36897 7/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GRM5 P41594 1/20 0.39
EDNRA P25101 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4332564 0.94 TRPC3 (0.42) TRPC3TRPC7TGFBR1ALDH1A1TSHR
SCHEMBL5200051 0.93 TRPC3 (0.42) TRPC3TRPC7TGFBR1ALDH1A1TSHR
SCHEMBL4339463 0.88 ALDH1A1 (0.41) TRPC3TRPC7TGFBR1ALDH1A1TSHR
SCHEMBL4343582 0.88 TRPC3 (0.42) TRPC3TRPC7TGFBR1ALDH1A1TSHR
SCHEMBL4342554 0.85 ALDH1A1 (0.42) TRPC3TRPC7TGFBR1ALDH1A1TSHR
SCHEMBL4339432 0.84 TGFBR1 (0.49) TRPC3TRPC7TGFBR1ALDH1A1TSHR
SCHEMBL4342038 0.82 GRIN2B (0.43) TRPC3TRPC7TGFBR1ALDH1A1TSHR
SCHEMBL4343661 0.81 TGFBR1 (0.48) TRPC3TRPC7TGFBR1ALDH1A1TSHR
SCHEMBL4347708 0.79 ALDH1A1 (0.41) TGFBR1ALDH1A1TSHRKDM4EGLA
SCHEMBL4332682 0.79 TRPC3 (0.41) TRPC3TRPC7ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612094-B2 Tri-substituted heteroaryls and methods of making and using the same BIOGEN IDEC MA INC. (US) 2009-11-03 US claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 US claimed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 EP claimed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 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 (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-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same ALK, ACVR1, ACVRL1 TRPC3 1899/4885TRPC7 2510/4885TGFBR1 13/4885

“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.