SCHEMBL419726

SCHEMBL419726

COc1ccc(Cl)cc1CN(C)C(=O)CCCSc1ccc(OC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PTGES O14684 1/20 0.38
F2 P00734 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX12 P18054 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 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
SCHEMBL415251 0.91 ALDH1A1 (0.42) MEN1KMT2ABCHEACHESLC6A2
SCHEMBL417291 0.90 L3MBTL1 (0.39) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL417839 0.87 MEN1 (0.41) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL417292 0.84 TP53 (0.37) MEN1KMT2AF2ALDH1A1LMNA
SCHEMBL415201 0.83 MAPT (0.41) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL416610 0.83 NPC1 (0.45) MEN1KMT2ABCHEACHESLC6A2
SCHEMBL415868 0.80 NPC1 (0.50) MEN1KMT2ABCHEACHESLC6A2
SCHEMBL417455 0.80 ALDH1A1 (0.48) MEN1KMT2ABCHEACHESLC6A4
SCHEMBL3252038 0.79 ALDH1A1 (0.31) MEN1KMT2AALDH1A1LMNAALOX12
SCHEMBL412612 0.79 TDP1 (0.40) MEN1KMT2ABCHEACHESLC6A2

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 4 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
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

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 HTR2A 3460/4885MEN1 4868/4885KMT2A 2843/4885

“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.