SCHEMBL415201

SCHEMBL415201

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RIPK1 Q13546 1/20 0.40
CCR3 P51677 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL415495 0.93 NPC1 (0.45) MEN1KMT2ABCHEACHECHRM2
SCHEMBL414383 0.90 LMNA (0.47) MAPTMEN1KMT2ABCHEACHE
SCHEMBL415868 0.90 NPC1 (0.50) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL415294 0.90 MEN1 (0.42) MEN1KMT2ABCHEACHECHRM2
SCHEMBL417531 0.89 POLB (0.43) MAPTMEN1KMT2ABCHEACHE
SCHEMBL414150 0.88 MEN1 (0.41) MEN1KMT2ABCHEACHECHRM2
SCHEMBL414627 0.88 MEN1 (0.43) MAPTL3MBTL1MEN1KMT2ABCHE
SCHEMBL417990 0.87 LMNA (0.43) MEN1KMT2ABCHEACHEHPGD
SCHEMBL415251 0.87 ALDH1A1 (0.42) MAPTL3MBTL1MEN1KMT2ABCHE
SCHEMBL417839 0.87 MEN1 (0.41) MAPTL3MBTL1MEN1KMT2ABCHE

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 MAPT 3216/4885L3MBTL1 3171/4885MEN1 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.