SCHEMBL416236

SCHEMBL416236

COc1ccc(SCCCC(=O)N(C)Cc2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.49
▸ RIPK1 Q13546 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ PDK1 Q15118 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42

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
SCHEMBL2482403 0.89 PDK1 (0.46) CLK1ALDH1A1LMNAGAAPDK1
SCHEMBL418243 0.88 RIPK1 (0.49) RIPK1ALDH1A1PKMHPGDALOX12
SCHEMBL416744 0.87 ALDH1A1 (0.54) CLK1RIPK1ALDH1A1PKMHPGD
SCHEMBL416207 0.87 MAPK1 (0.60) ALDH1A1LMNAMAPK1KMT2AHTT
SCHEMBL2487605 0.82 PDK1 (0.42) CLK1ALDH1A1PKMHPGDALOX12
SCHEMBL2484074 0.82 LMNA (0.47) RIPK1ALDH1A1PKMLMNAKMT2A
SCHEMBL412372 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL417568 0.81 RIPK1 (0.46) CLK1RIPK1ALDH1A1PKMHPGD
SCHEMBL2485786 0.79 ALDH1A1 (0.45) RIPK1ALDH1A1PKMHPGDALOX12
SCHEMBL2485825 0.78 LMNA (0.47) RIPK1PKMLMNAPDK1KMT2A

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-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 claimed
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 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-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 CLK1 3450/4885RIPK1 3432/4885ALDH1A1 455/4885

“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.

Send feedback