SCHEMBL415247

SCHEMBL415247

CN(Cc1ccccc1N1CCN(CCO)CC1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR7 P34969 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL414601 0.92 ALDH1A1 (0.40) ALDH1A1KDM4EHTR7DRD2DRD4
SCHEMBL412453 0.91 KDM4E (0.42) KMT2AALDH1A1KDM4EHTR7DRD2
SCHEMBL416317 0.91 NCF1 (0.37) MEN1KMT2AALDH1A1KDM4EHTR7
SCHEMBL417731 0.88 KMT2A (0.45) KMT2AALDH1A1KDM4EHTR7DRD2
SCHEMBL418901 0.87 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHTR7
SCHEMBL413145 0.86 NPC1 (0.39) MEN1KMT2AALDH1A1KDM4EDRD2
SCHEMBL418211 0.86 KMT2A (0.44) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL418219 0.85 NPC1 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL417266 0.84 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL417690 0.83 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1KDM4EMAPT

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 MEN1 4868/4885KMT2A 2843/4885ALDH1A1 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.