SCHEMBL12713393

SCHEMBL12713393

O=C(O)CCCCn1c(SCc2ccccc2Cl)nc2ccsc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 1.00
▸ ALDH1A1 P00352 7/20 0.63
▸ RXFP1 Q9HBX9 5/20 0.63
▸ HPGD P15428 4/20 0.63
▸ KDM4E B2RXH2 3/20 0.62
▸ RECQL P46063 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ MAPT P10636 3/20 0.60
▸ NSD2 O96028 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TP53 P04637 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ PTGDR2 Q9Y5Y4 1/20 0.52
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ ALOX15 P16050 1/20 0.49

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
SCHEMBL12713400 0.90 LMNA (0.81) LMNAALDH1A1RXFP1HPGDKDM4E
SCHEMBL3872687 0.86 LMNA (0.75) LMNAALDH1A1RXFP1HPGDKDM4E
SCHEMBL12713409 0.85 LMNA (0.73) LMNAALDH1A1RXFP1HPGDKDM4E
SCHEMBL12713395 0.81 LMNA (0.69) LMNAALDH1A1RXFP1HPGDKDM4E
SCHEMBL12713406 0.75 LMNA (0.60) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL12713398 0.74 LMNA (0.59) LMNAALDH1A1RXFP1HPGDKDM4E
SCHEMBL12713418 0.74 LMNA (0.58) LMNAALDH1A1RXFP1HPGDKDM4E
SCHEMBL13024525 0.73 POLB (1.00) LMNAALDH1A1RXFP1HPGDKDM4E
SCHEMBL12713391 0.70 LMNA (0.64) LMNAALDH1A1RXFP1HPGDKDM4E
SCHEMBL13814576 0.69 ALDH1A1 (0.68) LMNAALDH1A1RXFP1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 — — US disclosed
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 — — US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 — — US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 — — 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-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 (2 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-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 LMNA 2370/4885ALDH1A1 2899/4885RXFP1 605/4885
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 LMNA 2515/4885ALDH1A1 2352/4885RXFP1 630/4885

“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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