SCHEMBL4867580

SCHEMBL4867580

O=C(CS)NCc1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
HTT P42858 1/20 0.64
HPGD P15428 4/20 0.62
ALDH1A1 P00352 2/20 0.62
RAB9A P51151 2/20 0.62
TP53 P04637 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 2/20 0.55
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL4599033 0.82 LMNA (0.70) LMNAHTTHPGDALDH1A1RAB9A
SCHEMBL7932170 0.81 KMT2A (0.66) LMNAHPGDALDH1A1RAB9AKMT2A
SCHEMBL4406319 0.81 LMNA (0.68) LMNAHTTHPGDALDH1A1RAB9A
SCHEMBL20740269 0.81 LMNA (0.68) LMNAHTTHPGDALDH1A1RAB9A
SCHEMBL1274911 0.81 LMNA (0.68) LMNAHTTHPGDALDH1A1RAB9A
SCHEMBL1274285 0.81 LMNA (0.68) LMNAHTTHPGDALDH1A1RAB9A
SCHEMBL1709338 0.81 HPGD (0.70) LMNAHTTHPGDALDH1A1RAB9A
SCHEMBL1185619 0.80 GAA (0.66) LMNAHTTHPGDALDH1A1RAB9A
SCHEMBL6468546 0.79 RAB9A (0.68) LMNAHTTHPGDALDH1A1RAB9A
SCHEMBL18415459 0.79 LMNA (0.66) LMNAHTTHPGDALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 WO 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-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 LMNA 4579/4885HTT 1075/4885HPGD 2000/4885

“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.