SCHEMBL10123314

SCHEMBL10123314

CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(N3CCOCC3)cc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
THRB P10828 2/20 0.56
RXFP1 Q9HBX9 2/20 0.54
MEN1 O00255 1/20 0.54
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
TP53 P04637 2/20 0.51
HTR6 P50406 6/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL10123264 0.92 THRB (0.58) THRBRXFP1CRHBPCRHR2TP53
SCHEMBL10123263 0.83 THRB (0.58) KMT2ATHRBRXFP1TP53HTR6
SCHEMBL10123256 0.82 THRB (0.64) KMT2ATHRBRXFP1CRHBPCRHR2
SCHEMBL667284 0.82 THRB (0.79) THRBRXFP1TP53HTR6POLB
SCHEMBL10123316 0.82 THRB (0.63) THRBRXFP1TP53HTR6POLB
SCHEMBL10123313 0.82 THRB (0.63) THRBRXFP1TP53HTR6POLB
SCHEMBL8029045 0.81 KDM4E (0.61) THRBRXFP1CRHBPCRHR2TP53
SCHEMBL10123311 0.80 THRB (0.61) THRBRXFP1TP53HTR6POLB
SCHEMBL10123317 0.80 THRB (0.61) THRBRXFP1TP53HTR6POLB
SCHEMBL13573198 0.79 THRB (0.60) THRBRXFP1TP53HTR6POLB

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-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
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 KMT2A 2287/4885THRB 2096/4885RXFP1 4653/4885

“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.