SCHEMBL414616

SCHEMBL414616

COC(=O)c1ccccc1CN(C)C(=O)CCCSc1ccc(OC(=O)c2ccccc2CN(C)C(=O)CCCSc2ccc(O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 3/20 0.37
TSPO P30536 2/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 1/20 0.36
PRTN3 P24158 1/20 0.36
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 0.94 L3MBTL1 (0.42) LMNAKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL414615 0.90 L3MBTL1 (0.42) LMNAALDH1A1L3MBTL1KDM4ETSPO
SCHEMBL414723 0.82 PLK1 (0.44) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL414368 0.80 ALDH1A1 (0.40) LMNAKMT2AMEN1ALDH1A1
SCHEMBL413455 0.79 ACHE (0.54) LMNAKMT2AMEN1HPGD
SCHEMBL419661 0.79 RAB9A (0.43) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL414300 0.78 BCHE (0.48) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL413187 0.77 L3MBTL1 (0.41) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL415391 0.77 ALDH1A1 (0.40) LMNAKMT2AMEN1ALDH1A1CYP2C19
SCHEMBL415110 0.77 TDP1 (0.48) KMT2AMEN1ALDH1A1KDM4E

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 LMNA 3529/4885KMT2A 2843/4885MEN1 4868/4885

“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.