SCHEMBL6464947

SCHEMBL6464947

Cc1c(C(=O)NCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.76
PPARG P37231 2/20 0.51
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
S1PR3 Q99500 1/20 0.47
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44

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
SCHEMBL6469582 0.89 AR (0.79) ARPPARGLMNATSHRSMN1; SMN2
SCHEMBL6465306 0.88 AR (0.70) ARNPC1SMN1; SMN2
SCHEMBL6469722 0.87 AR (1.00) ARLMNATSHRSMN1; SMN2KMT2A
SCHEMBL6466020 0.86 AR (0.68) ARNPC1SMN1; SMN2
SCHEMBL6466355 0.85 AR (1.00) ARLMNATSHRSMN1; SMN2MEN1
SCHEMBL6469446 0.85 AR (0.67) ARPPARGLMNANPC1SMN1; SMN2
SCHEMBL6469575 0.85 AR (1.00) ARLMNATSHRSMN1; SMN2MEN1
SCHEMBL4205050 0.85 AR (0.66) ARSMN1; SMN2
SCHEMBL6469638 0.84 AR (0.83) ARLMNATSHRSMN1; SMN2KMT2A
SCHEMBL6466983 0.83 AR (0.79) ARLMNATSHRSMN1; SMN2KMT2A

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 6/4885PPARG 269/4885LMNA 4715/4885

“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.