SCHEMBL3405599

SCHEMBL3405599

COCn1ccnc1-c1nc(Cl)sc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 10/20 0.38
HSP90AA1 P07900 9/20 0.38
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3405279 0.87 DGAT1 (0.38) HSP90B1HSP90AA1ALDH1A1TDP1
SCHEMBL3401320 0.86 ALDH1A1 (0.42) ALDH1A1GAA
SCHEMBL1552538 0.83 LMNA (0.36) KMT2AALDH1A1LMNATP53GAA
SCHEMBL3400531 0.75 FBP1 (0.39) ALDH1A1GAA
SCHEMBL509029 0.74 FBP1 (0.42) KMT2ATHRBALDH1A1GAAMEN1
SCHEMBL404166 0.73 NPC1 (0.46) ALDH1A1LMNA
SCHEMBL509631 0.73 ADORA2A (0.37) HSP90AA1KMT2ATHRBALDH1A1LMNA
SCHEMBL13070796 0.70 ALDH1A1 (0.40) KMT2AALDH1A1TDP1LMNATP53
SCHEMBL3406697 0.69 ECE1 (0.44) KMT2ATDP1LMNAGAAMEN1
SCHEMBL3406312 0.69 ALDH1A1 (0.41) KMT2AALDH1A1TDP1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US disclosed
CN-101558066-A Pyrrole derivatives with antibacterial activity ASTRAZENECA AB (SE) 2009-10-14 CN disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS HSP90B1 625/4885HSP90AA1 618/4885KMT2A 4574/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR HSP90B1 1356/4885HSP90AA1 1540/4885KMT2A 3382/4885

“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.