SCHEMBL414615

SCHEMBL414615

CN(Cc1ccccc1C(=O)O)C(=O)CCCSc1ccc(O)cc1.COC(=O)c1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
PLK1 P53350 1/20 0.41
TSPO P30536 2/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCC1 P33527 1/20 0.36

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
SCHEMBL417466 0.96 L3MBTL1 (0.42) L3MBTL1PLK1TSPOHIF1AALDH1A1
SCHEMBL414723 0.93 PLK1 (0.44) L3MBTL1PLK1ALDH1A1LMNALTB4R2
SCHEMBL414616 0.90 LMNA (0.43) L3MBTL1TSPOHIF1AALDH1A1LMNA
SCHEMBL414368 0.82 ALDH1A1 (0.40) ALDH1A1LMNALTB4R2NPC1RAB9A
SCHEMBL413455 0.81 ACHE (0.54) LMNA
SCHEMBL419661 0.81 RAB9A (0.43) ALDH1A1LMNALTB4R2NPC1RAB9A
SCHEMBL414300 0.80 BCHE (0.48) L3MBTL1ALDH1A1LMNAKDM4ELTB4R2
SCHEMBL417275 0.79 MLNR (0.44) L3MBTL1ALDH1A1LTB4R2NPC1RAB9A
SCHEMBL411317 0.79 NPC1 (0.45) ALDH1A1LTB4R2NPC1RAB9A
SCHEMBL415110 0.79 TDP1 (0.48) ALDH1A1KDM4ELTB4R2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed

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 3171/4885PLK1 3379/4885TSPO 1852/4885

“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.