SCHEMBL415191

SCHEMBL415191

CN(Cc1ccccc1C1=CCNCC1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.37
MLNR O43193 3/20 0.37
HTR2C P28335 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HTR6 P50406 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
DRD2 P14416 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KHK P50053 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
NAMPT P43490 1/20 0.31
BRPF1 P55201 1/20 0.30

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
SCHEMBL2484788 0.85 BCHE (0.35) MLNRTDP1SLC6A2SLC6A4BCHE
SCHEMBL417275 0.80 MLNR (0.44) MLNRALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL419661 0.78 RAB9A (0.43) ALDH1A1TDP1MAPTBCHEACHE
SCHEMBL417694 0.77 PDK4 (0.47) HTR6NAMPT
SCHEMBL414300 0.77 BCHE (0.48) ALDH1A1TDP1KDM4EMAPTBCHE
SCHEMBL413145 0.76 NPC1 (0.39) HTR2CALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL415391 0.76 ALDH1A1 (0.40) ALDH1A1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL416332 0.76 BCHE (0.49) ALDH1A1BCHEACHENPC1RAB9A
SCHEMBL415110 0.76 TDP1 (0.48) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL413187 0.76 L3MBTL1 (0.41) ALDH1A1TDP1MAPTBCHEACHE

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 QDPR 778/4885MLNR 2928/4885HTR2C 3040/4885

“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.