SCHEMBL3033558

SCHEMBL3033558

Nc1ccc2c(c1)CC(=O)N2c1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 3/20 0.48
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
BCL2A1 Q16548 1/20 0.40
HPGD P15428 1/20 0.39
CASP6 P55212 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
RAD51 Q06609 1/20 0.38
MAPT P10636 3/20 0.37
ALOX12 P18054 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAD52 P43351 1/20 0.36
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3027278 0.89 CYP3A4 (0.50) KMT2AMEN1GAACYP3A4NFKB1
SCHEMBL3036904 0.86 MEN1 (0.64) KMT2AMEN1GAACYP3A4NFKB1
SCHEMBL7638721 0.83 KMT2A (0.48) KMT2AMEN1GAABCL2A1HPGD
SCHEMBL7845228 0.82 HPGD (0.57) KMT2AMEN1GAABCL2A1HPGD
SCHEMBL1664028 0.74 HPGD (0.50) KMT2AMEN1GAACYP3A4NFKB1
SCHEMBL3031301 0.73 PKM (0.47) KMT2AMEN1GAACYP3A4MAPT
SCHEMBL11133610 0.71 HPGD (0.62) KMT2AMEN1GAABCL2A1HPGD
SCHEMBL2470770 0.70 RAD51 (0.48) KMT2ACYP3A4BCL2A1DRD2DRD3
SCHEMBL9525943 0.70 MEN1 (0.65) KMT2AMEN1GAAHPGDCASP6
SCHEMBL11126288 0.69 RAD51 (0.45) KMT2AMEN1GAABCL2A1CASP6

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
US-8357689-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-22 US disclosed
US-20100210594-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
EP-2185571-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS Boehringer Ingelheim International GmbH (DE) 2010-05-19 EP disclosed
WO-2009016118-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-05 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-20100210594-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS G6PC1, PYGL, PPP1CA KMT2A 2641/4885MEN1 4101/4885GAA 177/4885

“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.