SCHEMBL417466

SCHEMBL417466

COC(=O)c1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HIF1A Q16665 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
TSPO P30536 2/20 0.38
GAA P10253 1/20 0.38
PLK1 P53350 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL414615 0.96 L3MBTL1 (0.42) L3MBTL1ALDH1A1LMNAKDM4EHIF1A
SCHEMBL414616 0.94 LMNA (0.43) L3MBTL1ALDH1A1LMNAKDM4EHIF1A
SCHEMBL414723 0.88 PLK1 (0.44) L3MBTL1ALDH1A1LMNAKMT2APLK1
SCHEMBL414368 0.85 ALDH1A1 (0.40) ALDH1A1LMNAKMT2ALTB4R2
SCHEMBL413455 0.84 ACHE (0.54) LMNAKMT2AGAA
SCHEMBL419661 0.84 RAB9A (0.43) ALDH1A1LMNAKMT2ALTB4R2
SCHEMBL414300 0.83 BCHE (0.48) L3MBTL1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL413187 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAKMT2ALTB4R2
SCHEMBL415110 0.82 TDP1 (0.48) ALDH1A1KDM4EKMT2ALTB4R2
SCHEMBL415391 0.82 ALDH1A1 (0.40) ALDH1A1LMNAKMT2ALTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 L3MBTL1 3171/4885ALDH1A1 455/4885LMNA 3529/4885

“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.