SCHEMBL6506735

SCHEMBL6506735

Cc1ccccc1C(C=O)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KCNA5 P22460 3/20 0.40
KCNN4 O15554 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ACP3 P15309 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6501428 0.82 GAA (0.41) GAASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL1515739 0.81 ACP3 (0.49) GAASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL10951261 0.81 CFTR (0.43) GAACFTRSLC6A2SLC6A4SLC6A3
SCHEMBL3658241 0.81 KCNA5 (0.45) GAACFTRSLC6A2SLC6A4SLC6A3
SCHEMBL360712 0.80 CFTR (0.57) GAACFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6505294 0.78 ALDH1A1 (0.42) GAACFTRSLC6A2SLC6A4SLC6A3
SCHEMBL7042926 0.77 ESR1 (0.48) GAASLC6A2SLC6A4SLC6A3ACP3
SCHEMBL6501548 0.76 CFTR (0.41) GAACFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2474024 0.76 KCNA5 (0.47) GAACFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8017822 0.76 GAA (1.00) GAACFTRSLC6A2SLC6A4SLC6A3

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 GAA 2036/4885CFTR 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.