SCHEMBL416400

SCHEMBL416400

COc1cc(C)ccc1CN(C)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL413455 0.86 ACHE (0.54) LMNACASP3SENP8SENP7SENP6
SCHEMBL417455 0.84 ALDH1A1 (0.48) LMNACASP3SENP8SENP7SENP6
SCHEMBL415294 0.84 MEN1 (0.42) BCHEACHECHRM2CHRM1KMT2A
SCHEMBL417839 0.83 MEN1 (0.41) LMNABCHEACHECHRM2CHRM1
SCHEMBL417990 0.83 LMNA (0.43) LMNACASP3SENP8SENP7SENP6
SCHEMBL415638 0.83 ACHE (0.56) LMNACASP3SENP8SENP7SENP6
SCHEMBL414383 0.82 LMNA (0.47) LMNACASP3SENP8SENP7SENP6
SCHEMBL414439 0.81 KMT2A (0.49) BCHEACHECHRM2CHRM1ALDH1A1
SCHEMBL417283 0.79 NPC1 (0.43) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL415817 0.79 KMT2A (0.38) LMNABCHEACHECHRM2CHRM1

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
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
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 LMNA 3529/4885CASP3 1199/4885SENP8 1143/4885

“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.