SCHEMBL397458

SCHEMBL397458

Cc1cc(N)ccc1-c1cccc(C)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.49
DPP4 P27487 1/20 0.49
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 7/20 0.46
PLA2G7 Q13093 1/20 0.46
CD44 P16070 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TSHR P16473 4/20 0.44
CYP3A4 P08684 4/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
PTPRC P08575 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 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
SCHEMBL6011533 0.86 CASP1 (0.48) ANPEPDPP4PDE10AALDH1A1PLA2G7
SCHEMBL3785981 0.86 PLA2G7 (0.61) ANPEPDPP4PDE10AALDH1A1PLA2G7
SCHEMBL1461185 0.85 PLA2G7 (0.55) ANPEPDPP4PDE10AALDH1A1PLA2G7
SCHEMBL8146041 0.83 ALDH1A1 (0.54) ANPEPDPP4PDE10AALDH1A1PLA2G7
SCHEMBL16280579 0.82 ALDH1A1 (0.65) ANPEPDPP4PDE10AALDH1A1PLA2G7
SCHEMBL3790203 0.82 CD44 (0.62) ANPEPDPP4ALDH1A1PLA2G7CD44
SCHEMBL30839806 0.82 CD44 (0.62) ANPEPDPP4ALDH1A1PLA2G7CD44
SCHEMBL30839745 0.82 ALDH1A1 (0.65) ANPEPDPP4PDE10AALDH1A1PLA2G7
SCHEMBL29777463 0.82 ALDH1A1 (0.65) ANPEPDPP4PDE10AALDH1A1PLA2G7
SCHEMBL63910 0.82 ALDH1A1 (0.65) ANPEPDPP4PDE10AALDH1A1PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 ANPEP 2592/4885DPP4 2458/4885PDE10A 398/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ANPEP 789/4885DPP4 3267/4885PDE10A 3386/4885

“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.