SCHEMBL19745705

SCHEMBL19745705

Nc1ccccc1Sc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 11/20 0.70
SMN1; SMN2 Q16637 1/20 0.69
MAPT P10636 4/20 0.65
LMNA P02545 3/20 0.65
POLB P06746 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PDE7B Q9NP56 3/20 0.55
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10387589 0.86 TXNRD1 (0.63) PDE7ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL1455439 0.85 PDE7A (0.74) PDE7ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL8095611 0.82 PDE7A (1.00) PDE7ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL7607819 0.82 PDE7A (1.00) PDE7ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL19318172 0.82 PDE7A (0.55) PDE7ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL2964985 0.82 PDE7A (0.70) PDE7ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL2968440 0.80 PDE7A (0.68) PDE7ASMN1; SMN2MAPTPOLBMEN1
SCHEMBL4001367 0.79 GSTP1 (0.57) PDE7AMAPTLMNAPOLBL3MBTL1
SCHEMBL16976256 0.78 PDE7A (0.53) PDE7AMAPTLMNAPOLBL3MBTL1
SCHEMBL21196538 0.77 PDE7A (0.49) PDE7ASMN1; SMN2MAPTLMNAPOLB

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 PDE7A 2108/4885SMN1; SMN2 4482/4885MAPT 4536/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH PDE7A 2108/4885SMN1; SMN2 4482/4885MAPT 4536/4885

“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.