SCHEMBL10123256

SCHEMBL10123256

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

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.64
HTR6 P50406 7/20 0.58
HPGD P15428 5/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 2/20 0.56
TP53 P04637 2/20 0.55
MAPT P10636 1/20 0.55
RECQL P46063 1/20 0.55
RXFP1 Q9HBX9 3/20 0.54
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL10123258 0.92 HTR6 (0.58) THRBHTR6HPGDALDH1A1KDM4E
SCHEMBL667284 0.89 THRB (0.79) THRBHTR6TP53MAPTRXFP1
SCHEMBL10123313 0.89 THRB (0.63) THRBHTR6HPGDALDH1A1KDM4E
SCHEMBL10123316 0.89 THRB (0.63) THRBHTR6HPGDALDH1A1KDM4E
SCHEMBL8029045 0.88 KDM4E (0.61) THRBHTR6HPGDALDH1A1KDM4E
SCHEMBL10123317 0.87 THRB (0.61) THRBHTR6ALDH1A1KDM4ETP53
SCHEMBL10123311 0.87 THRB (0.61) THRBHTR6HPGDALDH1A1KDM4E
SCHEMBL13573198 0.86 THRB (0.60) THRBHTR6HPGDALDH1A1KDM4E
SCHEMBL10123297 0.85 THRB (0.61) THRBHTR6HPGDALDH1A1KDM4E
SCHEMBL10123264 0.85 THRB (0.58) THRBHTR6HPGDALDH1A1KDM4E

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-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 4755/4885HPGD 1949/4885

“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.