SCHEMBL19747099

SCHEMBL19747099

CC(C)(C)OC(=O)N1c2ccc(N3CCCC3)cc2Sc2cc(C(F)(F)F)cc([N+](=O)[O-])c21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL21196734 0.85 BCHE (0.41) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL19744454 0.84 BCHE (0.41) MAPTALDH1A1CYP2C19CYP1A2TDP1
SCHEMBL2585068 0.79 SIRT6 (0.41) MAPTALDH1A1HTTSIRT6
SCHEMBL9933040 0.79 BCHE (0.40) —
SCHEMBL19745917 0.78 MAPT (0.38) MAPTALDH1A1CYP2C19CYP1A2LMNA
SCHEMBL21196619 0.78 MAPT (0.44) MAPTALDH1A1CYP2C19CYP1A2TDP1
SCHEMBL2594780 0.76 PDK2 (0.46) MAPTALDH1A1CYP2C19LMNASMN1; SMN2
SCHEMBL13386133 0.76 BCHE (0.40) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL19744686 0.75 BRD4 (0.35) MAPTCYP2C19CYP1A2SMN1; SMN2CYP2C9
SCHEMBL21196560 0.74 KMT2A (0.40) MAPTALDH1A1CYP2C19CYP1A2L3MBTL1

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 6 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-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 MAPT 4536/4885ALDH1A1 876/4885CYP2C19 71/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH MAPT 4536/4885ALDH1A1 876/4885CYP2C19 71/4885

“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.

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