SCHEMBL12713401

SCHEMBL12713401

CC(=O)NCCCCCn1c(SCc2cc(C)ccc2C)nc2ccsc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.57
▸ MAPT P10636 4/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP2C19 P33261 2/20 0.47
▸ RXFP1 Q9HBX9 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 3/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 2/20 0.46

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
SCHEMBL12713460 0.90 LMNA (0.53) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL12713391 0.87 LMNA (0.64) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL12713395 0.86 LMNA (0.69) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL12713397 0.86 LMNA (0.63) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL12713425 0.85 LMNA (0.78) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL12713398 0.83 LMNA (0.59) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL12713469 0.79 LMNA (0.56) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL12713388 0.78 LMNA (0.63) LMNAMAPTRXFP1SMN1; SMN2ALDH1A1
SCHEMBL18883830 0.77 LMNA (0.50) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL12713389 0.77 LMNA (0.55) LMNAMAPTNPSR1RXFP1SMN1; 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 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 2370/4885MAPT 4797/4885NPSR1 95/4885
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 LMNA 2515/4885MAPT 4805/4885NPSR1 99/4885

“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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