SCHEMBL414300

SCHEMBL414300

Cc1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
RORC P51449 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCRTR1 O43613 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL419661 0.89 RAB9A (0.43) BCHEACHEHSP90AA1ALDH1A1KMT2A
SCHEMBL411317 0.87 NPC1 (0.45) BCHEACHEALDH1A1KMT2ARAB9A
SCHEMBL416332 0.87 BCHE (0.49) BCHEACHEHSP90AA1ALDH1A1KMT2A
SCHEMBL415110 0.87 TDP1 (0.48) ALDH1A1KMT2AKDM4ERAB9ANPC1
SCHEMBL415391 0.87 ALDH1A1 (0.40) BCHEACHEHSP90AA1ALDH1A1KMT2A
SCHEMBL413187 0.87 L3MBTL1 (0.41) BCHEACHEHSP90AA1ALDH1A1KMT2A
SCHEMBL415817 0.87 KMT2A (0.38) BCHEACHEALDH1A1KMT2ALMNA
SCHEMBL414368 0.86 ALDH1A1 (0.40) BCHEACHEALDH1A1KMT2ALMNA
SCHEMBL414723 0.86 PLK1 (0.44) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL416348 0.85 METAP2 (0.43) ALDH1A1KMT2ATDP1MEN1

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 BCHE 3039/4885ACHE 4296/4885HSP90AA1 2010/4885

“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.