SCHEMBL6466498

SCHEMBL6466498

COC(=O)c1c(-c2ccc(N)c([N+](=O)[O-])c2)c(C)n(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.55
KMT2A Q03164 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.38
ERN1 O75460 1/20 0.38
ALOX15 P16050 1/20 0.38
ABCC4 O15439 1/20 0.38
PLIN1 O60240 1/20 0.38
CACNA1F O60840 1/20 0.38

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
SCHEMBL6469587 0.84 AR (0.51) ARKMT2AMAPTMEN1TDP1
SCHEMBL6469335 0.81 AR (0.74) ARMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL2720856 0.71 LMNA (0.66) KMT2AMAPTMEN1TDP1POLB
SCHEMBL5310060 0.70 KMT2A (0.47) KMT2AMAPTMEN1TDP1POLB
SCHEMBL6887722 0.69 AR (0.72) ARKMT2AMAPTMEN1TDP1
SCHEMBL737722 0.68 MAPT (1.00) KMT2AMAPTMEN1TDP1POLB
SCHEMBL29409289 0.68 MAPT (1.00) KMT2AMAPTMEN1TDP1POLB
SCHEMBL8920109 0.66 ABL1 (0.46) KMT2AMAPTMEN1TDP1POLB
SCHEMBL5952772 0.66 TDP1 (0.79) KMT2AMAPTMEN1TDP1POLB
SCHEMBL717794 0.66 MAPT (0.71) KMT2AMAPTMEN1TDP1POLB

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 2 patents. 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 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

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 6/4885KMT2A 2015/4885MAPT 4864/4885

“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.