SCHEMBL413508

SCHEMBL413508

CN(Cc1ccccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)CCCNCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 7/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMO Q99835 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 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
SCHEMBL413507 0.85 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL415232 0.83 MPO (0.41) KDM4ELMNAALDH1A1CHRM2CHRM1
SCHEMBL414465 0.76 ACHE (0.50) TDP1KDM4EALDH1A1HTTCHRM2
SCHEMBL13234632 0.72 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL419875 0.71 ACHE (0.60) TDP1CHRM2CHRM1GAA
SCHEMBL417377 0.71 SMO (0.52) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL13959064 0.70 MAPT (0.50) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL417530 0.69 ACHE (0.47) KDM4ELMNAMAPTALDH1A1CHRM2
SCHEMBL415231 0.67 DRD2 (0.39) TDP1ALDH1A1CHRM2CHRM1POLB
SCHEMBL27707295 0.64 SMN1; SMN2 (0.62) KDM4ESMN1; SMN2LMNAMAPTHPGD

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 TDP1 4076/4885KDM4E 674/4885SMN1; SMN2 4050/4885

“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.