SCHEMBL6501433

SCHEMBL6501433

CCc1cccc(C(C=O)c2ccncc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 2/20 0.40
GRK2 P25098 1/20 0.38
AURKA O14965 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CYP17A1 P05093 1/20 0.34
KDR P35968 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
GAA P10253 1/20 0.33
MGLL Q99685 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6510115 0.83 MAPK14 (0.34) SLC6A2SLC6A4SLC6A3PTGS2NISCH
SCHEMBL6501378 0.82 RAB9A (0.44) SLC6A2SLC6A4SLC6A3AURKAPTGS1
SCHEMBL6510105 0.80 MAPKAPK2 (0.44) SLC6A2SLC6A4SLC6A3CYP17A1GAA
SCHEMBL3907301 0.76 CYP19A1 (0.41) SLC6A2SLC6A4SLC6A3MAPTGAA
SCHEMBL3403146 0.76 CYP11B1 (0.41) SLC6A2SLC6A4SLC6A3CYP17A1
SCHEMBL2145850 0.76 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3GRK2MAPT
SCHEMBL1515763 0.76 SLC6A3 (0.58) SLC6A2SLC6A4SLC6A3MAPTLMNA
SCHEMBL6503892 0.76 ROCK2 (0.47) AURKAALDH1A1
SCHEMBL7247570 0.74 PTGS2 (0.43) SLC6A2SLC6A4SLC6A3PTGS2MAPT
SCHEMBL6500197 0.73 HTT (0.43) AURKALMNATHRBALDH1A1KDR

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 1 patent. 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

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 SLC6A2 4327/4885SLC6A4 4742/4885SLC6A3 4560/4885

“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.