SCHEMBL412492

SCHEMBL412492

CN(Cc1cccc2c1OCO2)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MAOB P27338 1/20 0.35
MTNR1A P48039 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
FAAH O00519 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
REN P00797 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MGAM O43451 1/20 0.32

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
SCHEMBL416747 0.84 PARP1 (0.35) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL419661 0.80 RAB9A (0.43) ALDH1A1LMNAMAPTKMT2AHPGD
SCHEMBL414300 0.79 BCHE (0.48) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL418204 0.78 BCHE (0.40) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL411317 0.78 NPC1 (0.45) ALDH1A1KMT2A
SCHEMBL416348 0.78 METAP2 (0.43) ALDH1A1KMT2AMEN1
SCHEMBL415110 0.78 TDP1 (0.48) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL415391 0.78 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1
SCHEMBL413187 0.78 L3MBTL1 (0.41) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL416332 0.78 BCHE (0.49) ALDH1A1LMNAKMT2AHTTNPSR1

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 ALDH1A1 455/4885LMNA 3529/4885MAPT 3216/4885

“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.