SCHEMBL5221816

SCHEMBL5221816

Cc1cccc(C)c1Nc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2N)cs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 3/20 0.42
IDE P14735 1/20 0.42
MAPK10 P53779 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
NPY5R Q15761 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PTGES O14684 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
BRAF P15056 1/20 0.39
HDAC3 O15379 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
CHRNA7 P36544 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
SCHEMBL5215524 0.92 POLB (0.44) POLBALDH1A1MAPTHTTMAPK1
SCHEMBL5214488 0.90 NPSR1 (0.47) POLBALDH1A1MAPTHTTMAPK1
SCHEMBL14422193 0.83 MAPT (0.56) POLBMAPTHTTMAPK1IDE
SCHEMBL5220837 0.82 NPSR1 (0.47) POLBALDH1A1MAPTHTTMAPK1
SCHEMBL5214846 0.82 NPSR1 (0.44) ALDH1A1MAPTMAPK1IDEMAPK10
SCHEMBL5216059 0.74 NPSR1 (0.44) ALDH1A1MAPTMAPK1IDEMAPK10
SCHEMBL30416650 0.73 HDAC3 (0.63) ALDH1A1MAPTGAAPTGS1KDM4E
SCHEMBL14422249 0.73 MAPT (0.58) POLBALDH1A1MAPTHTTMAPK1
SCHEMBL14422251 0.71 KDM1A (0.56) POLBMAPTMAPK1NPSR1HDAC3
SCHEMBL23992191 0.71 HDAC3 (0.52) ALDH1A1PTGS1KDM4EHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 EP disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 EP disclosed
US-20040157845-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-12 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-20040157845-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 POLB 3495/4885ALDH1A1 3103/4885MAPT 680/4885

“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.