SCHEMBL10123297

SCHEMBL10123297

CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.61
TP53 P04637 4/20 0.53
HTR6 P50406 8/20 0.51
RXFP1 Q9HBX9 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.46
MAPT P10636 4/20 0.46

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
SCHEMBL10123299 0.93 THRB (0.55) THRBTP53HTR6RXFP1SMN1; SMN2
SCHEMBL10123256 0.85 THRB (0.64) THRBTP53HTR6RXFP1KDM4E
SCHEMBL10123316 0.85 THRB (0.63) THRBTP53HTR6RXFP1SMN1; SMN2
SCHEMBL10123313 0.85 THRB (0.63) THRBTP53HTR6RXFP1SMN1; SMN2
SCHEMBL667284 0.85 THRB (0.79) THRBTP53HTR6RXFP1SMN1; SMN2
SCHEMBL8029045 0.84 KDM4E (0.61) THRBTP53HTR6RXFP1KDM4E
SCHEMBL10123311 0.83 THRB (0.61) THRBTP53HTR6RXFP1SMN1; SMN2
SCHEMBL10123317 0.83 THRB (0.61) THRBTP53HTR6RXFP1KDM4E
SCHEMBL13573198 0.82 THRB (0.60) THRBTP53HTR6RXFP1SMN1; SMN2
SCHEMBL10123264 0.81 THRB (0.58) THRBTP53HTR6RXFP1KDM4E

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-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 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-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION FDFT1, COASY, KAT5 THRB 2096/4885TP53 4676/4885HTR6 4755/4885

“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.