SCHEMBL19745686

SCHEMBL19745686

O=C(O)NCCCN1c2ccccc2Sc2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.46
KDM1A O60341 5/20 0.45
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PIM1 P11309 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BCHE P06276 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL23936708 0.84 PTGS2 (0.60) PTGS2MEN1KMT2ALMNAKDM1A
SCHEMBL14697664 0.81 LMNA (0.60) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL21196596 0.78 PIM1 (0.68) LMNAMAPTKDM1APIM1ALDH1A1
SCHEMBL19745606 0.78 PIM1 (0.51) MEN1KMT2ALMNAMAPTKDM1A
SCHEMBL17419212 0.78 KDM1A (0.58) LMNAMAPTKDM1APIM1ALDH1A1
SCHEMBL9100289 0.78 MAPT (0.50) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL28586304 0.77 PIM1 (0.54) LMNAMAPTKDM1APIM1ALDH1A1
SCHEMBL28593684 0.76 PDF (0.53) LMNAMAPTKDM1APIM1ALDH1A1
SCHEMBL28393566 0.76 PDF (0.53) LMNAMAPTKDM1APIM1ALDH1A1
SCHEMBL28889573 0.76 PDF (0.53) LMNAMAPTKDM1APIM1ALDH1A1

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-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof BIOIMICS AB (SE) 2021-09-28 US disclosed
US-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2019-08-01 US disclosed
EP-3475277-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF Bioimics AB (SE) 2019-05-01 EP disclosed
WO-2017222466-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2017-12-28 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 (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-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF ELANE, MPO, NISCH PTGS2 107/4885MEN1 2160/4885KMT2A 4554/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH PTGS2 107/4885MEN1 2160/4885KMT2A 4554/4885

“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.