SCHEMBL12713409

SCHEMBL12713409

O=C(O)CCCCn1c(CCc2ccccc2Cl)nc2ccsc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.73
▸ PDE4B Q07343 2/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ PDE4C Q08493 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ RXFP1 Q9HBX9 5/20 0.47
▸ HPGD P15428 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RECQL P46063 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL12713393 0.85 LMNA (1.00) LMNAPOLBRXFP1HPGDALDH1A1
SCHEMBL12713400 0.76 LMNA (0.81) LMNAPOLBRXFP1HPGDALDH1A1
SCHEMBL12713418 0.75 LMNA (0.58) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL12713395 0.68 LMNA (0.69) LMNAPOLBRXFP1HPGDALDH1A1
SCHEMBL18112923 0.67 MAPT (0.56) RXFP1MAPTHDAC6SMN1; SMN2
SCHEMBL5739015 0.67 PDE4B (0.79) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL5106146 0.66 PDE4B (0.86) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL27413118 0.66 MAPT (0.59) RXFP1MAPTHDAC6SMN1; SMN2
SCHEMBL27411659 0.66 MAPT (0.59) RXFP1MAPTHDAC6SMN1; SMN2
SCHEMBL27438258 0.66 MAPT (0.59) RXFP1MAPTHDAC6SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809346-B2 ANT-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2014-08-19 — — US disclosed
US-8809346-B2 ANT-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2014-08-19 — — US disclosed
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2011-04-14 — — US disclosed
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2011-04-14 — — US 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-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 LMNA 2515/4885PDE4B 2987/4885PDE4A 2625/4885

“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.

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