SCHEMBL4603631

SCHEMBL4603631

COC(=O)COc1ccc(NC(=O)Cc2ccc(Oc3cc(C#N)cc(C#N)c3)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
RORC P51449 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ROCK2 O75116 1/20 0.42
EPHX2 P34913 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
DDR1 Q08345 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL2639293 0.93 RORC (0.44) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL4606459 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL4604434 0.87 RORC (0.44) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL4603066 0.87 MEN1 (0.49) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL4604521 0.86 MAPT (0.44) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL2639012 0.83 RORC (0.46) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL3836027 0.83 RORC (0.43) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL4604312 0.82 CA1 (0.54) KMT2AMEN1RORC
SCHEMBL4602821 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL2638433 0.81 RORC (0.44) ALDH1A1KMT2AMEN1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
EP-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP disclosed
US-7388111-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-06-17 US disclosed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 US 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-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, RTF1 ALDH1A1 196/4885KMT2A 989/4885MEN1 4639/4885

“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.