SCHEMBL4604434

SCHEMBL4604434

N#CCOc1ccc(NC(=O)Cc2ccc(Oc3cc(C#N)cc(C#N)c3)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
ROCK2 O75116 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL2638287 0.92 RORC (0.44) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL4606459 0.91 ALDH1A1 (0.53) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL4603631 0.87 ALDH1A1 (0.46) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL4603066 0.85 MEN1 (0.49) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL4604312 0.84 CA1 (0.54) RORCMEN1KMT2A
SCHEMBL2639768 0.82 MAPT (0.47) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL4602821 0.82 ALDH1A1 (0.54) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL4604521 0.81 MAPT (0.44) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL3836027 0.81 RORC (0.43) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL2640022 0.81 RORC (0.46) RORCALDH1A1MAPTMEN1KMT2A

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 RORC 1541/4885ALDH1A1 196/4885MAPT 1773/4885

“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.