SCHEMBL6468351

SCHEMBL6468351

Cc1cc(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccc(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.62
SLC29A1 Q99808 1/20 0.41
PPARG P37231 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
HSPB1 P04792 2/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 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
SCHEMBL6465298 0.77 AR (1.00) ARPPARGLMNAMEN1KMT2A
SCHEMBL6467848 0.74 AR (0.66) ARMAPTTDP1ALDH1A1
SCHEMBL6468786 0.73 AR (0.52) ARSLC29A1PPARGHSPB1LMNA
SCHEMBL9159203 0.69 KDM4E (0.51) S1PR4S1PR1S1PR5MAPTSMN1; SMN2
SCHEMBL15998945 0.69 NOTUM (0.57) S1PR4S1PR1S1PR5LMNAMEN1
SCHEMBL16832320 0.66 LMNA (0.78) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6018268 0.66 CCR2 (0.59) PPARGLMNAMEN1KMT2AMAPT
SCHEMBL4337112 0.65 HSPB1 (0.58) HSPB1LMNAMAPT
SCHEMBL19252872 0.65 HIF1A (0.51) SLC29A1LMNAMEN1KMT2AMAPT
SCHEMBL11619067 0.65 TDP1 (0.55) ARHSPB1LMNAMEN1KMT2A

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 AR 6/4885SLC29A1 2978/4885PPARG 269/4885

“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.