SCHEMBL6502611

SCHEMBL6502611

O=CC(c1ccc(F)cc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
KCNA5 P22460 2/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
KCND3 Q9UK17 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 3/20 0.41
EPHX2 P34913 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GPR55 Q9Y2T6 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 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
SCHEMBL360712 0.86 CFTR (0.57) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6505294 0.83 ALDH1A1 (0.42) POLBCFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6503338 0.83 CYP19A1 (0.62) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL2789136 0.80 LTA4H (0.42) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL1515692 0.80 ALDH1A1 (0.42) SLC6A3SMN1; SMN2
SCHEMBL20521097 0.80 ALDH1A1 (0.42) SLC6A3SMN1; SMN2
SCHEMBL3540663 0.80 IDO1 (0.41) SMN1; SMN2
SCHEMBL6498870 0.80 ALDH1A1 (0.49) POLBCFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6498908 0.80 KMT2A (0.46) POLBCYP19A1SMN1; SMN2KMT2A
SCHEMBL8191216 0.78 PTGS2 (0.48) L3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 POLB 3338/4885CFTR 3911/4885SLC6A2 4327/4885

“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.