SCHEMBL4603066

SCHEMBL4603066

COC(=O)c1ccc(NC(=O)Cc2ccc(Oc3cc(C#N)cc(C#N)c3)c(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 1/20 0.48
RORC P51449 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
EPHX2 P34913 1/20 0.43
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL2639066 0.92 MEN1 (0.49) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL4606459 0.90 ALDH1A1 (0.53) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL4604063 0.89 MRGPRX4 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4604641 0.87 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL4603631 0.87 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4604434 0.85 RORC (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4604521 0.84 MAPT (0.44) MEN1KMT2AMAPK1NPC1ALDH1A1
SCHEMBL4604312 0.83 CA1 (0.54) MEN1KMT2ARORC
SCHEMBL4602821 0.83 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL3835920 0.82 RORC (0.45) MEN1KMT2AALDH1A1MAPTGAA

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 MEN1 4639/4885KMT2A 989/4885MAPK1 2666/4885

“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.