SCHEMBL10123313

SCHEMBL10123313

CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(Br)cc12

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.63
HTR6 P50406 9/20 0.59
TP53 P04637 3/20 0.54
MAPT P10636 3/20 0.52
RXFP1 Q9HBX9 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10123303 0.92 HTR6 (0.59) THRBHTR6TP53MAPTRXFP1
SCHEMBL10123256 0.89 THRB (0.64) THRBHTR6TP53MAPTRXFP1
SCHEMBL667284 0.88 THRB (0.79) THRBHTR6TP53MAPTRXFP1
SCHEMBL10123316 0.88 THRB (0.63) THRBHTR6TP53MAPTRXFP1
SCHEMBL8029045 0.87 KDM4E (0.61) THRBHTR6TP53MAPTRXFP1
SCHEMBL10123317 0.86 THRB (0.61) THRBHTR6TP53MAPTRXFP1
SCHEMBL10123311 0.86 THRB (0.61) THRBHTR6TP53MAPTRXFP1
SCHEMBL13573198 0.85 THRB (0.60) THRBHTR6TP53MAPTRXFP1
SCHEMBL10123297 0.85 THRB (0.61) THRBHTR6TP53MAPTRXFP1
SCHEMBL10123264 0.84 THRB (0.58) THRBHTR6TP53MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303888-B1 COMPOUNDS FOR ANTIMICROBIAL INTERVENTION HARVARD COLLEGE (US) 2015-05-06 EP disclosed
US-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 US disclosed
US-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 US disclosed
WO-2009151561-A2 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-17 WO 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 2096/4885HTR6 4755/4885TP53 4676/4885

“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.