SCHEMBL3473709

SCHEMBL3473709

COC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(Br)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.49
SMPD1 P17405 2/20 0.49
PTGS2 P35354 8/20 0.47
MALT1 Q9UDY8 1/20 0.44
FABP3 P05413 1/20 0.43
SNCA P37840 1/20 0.43
MARS1 P56192 1/20 0.43

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
SCHEMBL12000521 0.90 KMT2A (0.66) KMT2AMEN1SMN1; SMN2PTGS2MALT1
SCHEMBL14622603 0.84 KMT2A (0.48) KMT2AMEN1SMN1; SMN2PTGS2MARS1
SCHEMBL28038235 0.81 SMPD1 (0.67) SMN1; SMN2SMPD1PTGS2MALT1
SCHEMBL3473773 0.80 NR1H2 (0.61) KMT2AMEN1SMN1; SMN2PTGS2
SCHEMBL27716914 0.79 KMT2A (0.52) KMT2AMEN1SMN1; SMN2SMPD1PTGS2
SCHEMBL4488941 0.76 KMT2A (0.82) KMT2AMEN1SMN1; SMN2FABP3SNCA
SCHEMBL9643919 0.76 MALT1 (0.73) KMT2AMEN1SMN1; SMN2SMPD1MALT1
SCHEMBL4486680 0.76 KMT2A (1.00) KMT2AMEN1SMN1; SMN2MARS1
SCHEMBL17114573 0.75 PTGS2 (0.58) KMT2AMEN1PTGS2
SCHEMBL1514517 0.75 KMT2A (0.81) KMT2AMEN1SMN1; SMN2MALT1MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 KMT2A 2663/4885MEN1 3666/4885SMN1; SMN2 4666/4885

“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.