SCHEMBL5757078

SCHEMBL5757078

Cc1ccc(C(=O)NCCc2cccs2)c(=O)n1-c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NOTUM Q6P988 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
SCN9A Q15858 1/20 0.42
ELANE P08246 1/20 0.41
KMT2A Q03164 2/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
IL1B P01584 1/20 0.40
P2RX7 Q99572 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL5760215 0.91 HPGD (0.47) RAB9ASMN1; SMN2NOTUMSCN9AELANE
SCHEMBL5756359 0.84 ELANE (0.58) NPC1RAB9ASMN1; SMN2NOTUMTAAR1
SCHEMBL5756977 0.84 TP53 (0.47) NPC1RAB9ASMN1; SMN2NOTUMELANE
SCHEMBL27643772 0.83 KLKB1 (0.48) RAB9ASMN1; SMN2NOTUMELANELMNA
SCHEMBL5756759 0.82 CNR1 (0.47) NPC1RAB9ANOTUMELANEKMT2A
SCHEMBL5757117 0.82 ELANE (0.47) NPC1RAB9ASMN1; SMN2NOTUMIRAK4
SCHEMBL5757207 0.82 ELANE (0.45) NPC1RAB9ANOTUMELANECNR1
SCHEMBL5757706 0.81 ELANE (0.45) RAB9ASMN1; SMN2NOTUMELANEALDH1A1
SCHEMBL5756791 0.81 NOTUM (0.43) NPC1RAB9ANOTUMTAAR1ELANE
SCHEMBL5758054 0.81 MAPT (0.47) NOTUMELANEKMT2AMEN1IL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 NPC1 3743/4885RAB9A 2158/4885SMN1; SMN2 1066/4885

“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.