SCHEMBL19745606

SCHEMBL19745606

ClCCCN1c2ccccc2Sc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
KDM1A O60341 8/20 0.49
SIGMAR1 Q99720 3/20 0.49
CYP1A2 P05177 3/20 0.49
HTR1A P08908 3/20 0.49
CYP2D6 P10635 3/20 0.49
DRD2 P14416 3/20 0.49
CYP2C19 P33261 3/20 0.49
SLC22A1 O15245 2/20 0.49
PRNP P04156 2/20 0.49
TP53 P04637 2/20 0.49
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
ADRA2A P08913 2/20 0.49
CHRM1 P11229 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
CHRM3 P20309 2/20 0.49
DRD1 P21728 2/20 0.49

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
SCHEMBL11749407 0.91 PIM1 (0.54) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL5805213 0.86 PIM1 (0.66) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL30349818 0.86 PIM1 (0.66) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL21196596 0.86 PIM1 (0.68) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL17419212 0.86 KDM1A (0.58) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL28586304 0.84 PIM1 (0.54) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL28592747 0.83 PDF (0.53) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL28593684 0.83 PDF (0.53) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL28889573 0.83 PDF (0.53) PIM1KDM1ASIGMAR1CYP1A2HTR1A
SCHEMBL28393566 0.83 PDF (0.53) PIM1KDM1ASIGMAR1CYP1A2HTR1A

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
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed
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-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
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 PIM1 1395/4885KDM1A 3683/4885SIGMAR1 1636/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH PIM1 1395/4885KDM1A 3683/4885SIGMAR1 1636/4885

“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.