SCHEMBL19745998

SCHEMBL19745998

COC(=O)c1ccc2c(c1)Sc1cc(C(F)(F)F)cc(NC3CCN(CCN)CC3)c1N2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 8/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ FGB P02675 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CCR2 P41597 4/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 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
SCHEMBL23862487 0.91 ALOX15 (0.38) ALOX15HTTMEN1FGBHSP90AA1
SCHEMBL21214241 0.88 RHOC (0.40) SLC6A5MEN1HPGDKMT2ACCR2
SCHEMBL21214284 0.88 SLC6A5 (0.38) SLC6A5CCR2
Hydrochloric Acid SCHEMBL21196641 0.87 RHOC (0.40) SLC6A5MEN1HPGDKMT2ACCR2
SCHEMBL21196803 0.87 DRD2 (0.38) SLC6A5ALOX15HTTMEN1FGB
Trifluoroacetic Acid SCHEMBL23922747 0.85 CCR2 (0.37) SLC6A5CCR2
SCHEMBL21196583 0.84 RHOC (0.37) MEN1MAPK1KMT2AALDH1A1
SCHEMBL21214268 0.84 GRIN2B (0.34) SLC6A5MAPK1
SCHEMBL21196739 0.84 GRIN2B (0.34) SLC6A5MAPK1
Trifluoroacetic Acid SCHEMBL21196768 0.84 CHRM2 (0.39) SLC6A5MAPK1

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 SLC6A5 4530/4885ALOX15 238/4885HTT 3218/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH SLC6A5 4530/4885ALOX15 238/4885HTT 3218/4885

“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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