SCHEMBL6469722

SCHEMBL6469722

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 1.00
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
PLA2G2A P14555 1/20 0.47
MITF O75030 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
CFTR P13569 1/20 0.46
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL6466355 0.92 AR (1.00) ARLMNASMN1; SMN2TSHRPLA2G2A
SCHEMBL6469638 0.91 AR (0.83) ARLMNASMN1; SMN2TSHRPLA2G2A
SCHEMBL6469582 0.89 AR (0.79) ARLMNASMN1; SMN2TSHRPLA2G2A
SCHEMBL6469575 0.89 AR (1.00) ARLMNASMN1; SMN2TSHRPLA2G2A
SCHEMBL6466983 0.89 AR (0.79) ARLMNASMN1; SMN2TSHRPLA2G2A
SCHEMBL6465329 0.88 AR (1.00) ARLMNASMN1; SMN2MAPTKDM4E
SCHEMBL6464947 0.87 AR (0.76) ARLMNASMN1; SMN2TSHRKMT2A
SCHEMBL6466205 0.86 AR (0.79) ARLMNASMN1; SMN2TSHRPLA2G2A
SCHEMBL29071902 0.86 AR (0.74) ARLMNASMN1; SMN2TSHRMAPT
SCHEMBL6887722 0.84 AR (0.72) ARLMNASMN1; SMN2TSHRPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP claimed
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
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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 6/4885LMNA 4715/4885SMN1; SMN2 4604/4885

“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.