SCHEMBL6466372

SCHEMBL6466372

Cc1[nH]c(C(C)C)c(C(N)=O)c1-c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.42
PARP1 P09874 1/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CASP1 P29466 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CSNK1E P49674 1/20 0.35
MMP2 P08253 3/20 0.34
MMP3 P08254 3/20 0.34
SLC11A2 P49281 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL6469348 0.88 FNTA (0.43) MAP2FNTAFNTBALDH1A1POLB
SCHEMBL6467825 0.85 KMT2A (0.47) MAP2PARP1GRM2ALDH1A1POLB
SCHEMBL6469507 0.85 KMT2A (0.52) FNTAFNTBALDH1A1POLBKMT2A
SCHEMBL6466967 0.79 MAP2 (0.42) MAP2PARP1FNTAFNTBGRM2
SCHEMBL6469556 0.77 AR (0.40) FNTAFNTBALDH1A1GAAMAPT
SCHEMBL4918939 0.75 KMT2A (0.48) MAP2FNTAFNTBALDH1A1POLB
SCHEMBL6464376 0.74 KMT2A (0.51) FNTAFNTBALDH1A1POLBKMT2A
SCHEMBL24411089 0.73 KMT2A (0.47) MAP2ALDH1A1POLBKMT2AGAA
SCHEMBL5362730 0.72 AR (0.44) MAP2FNTAFNTBALDH1A1POLB
SCHEMBL6465908 0.71 ALDH1A1 (0.71) ALDH1A1POLBKMT2AGAAMAPT

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR MAP2 4709/4885PARP1 3000/4885FNTA 3791/4885

“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.