SCHEMBL20618436

SCHEMBL20618436

O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cc(Br)sc2-c2ncc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
HPGD P15428 1/20 0.38
STING1 Q86WV6 1/20 0.37
CYP11B2 P19099 1/20 0.37
HSD11B1 P28845 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
BCHE P06276 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL20614703 0.87 CYP11B2 (0.39) HPGDCYP11B2MAPTALDH1A1LMNA
SCHEMBL22722545 0.85 AVPR2 (0.41) PGRHPGDSTING1CYP11B2HSD11B1
SCHEMBL20620169 0.84 HSD11B1 (0.40) PGRHPGDSTING1HSD11B1MAPT
SCHEMBL20618458 0.82 LMNA (0.40) PGRHPGDSTING1CYP11B2HSD11B1
SCHEMBL20618450 0.80 PGR (0.40) PGRHPGDSTING1CYP11B2HSD11B1
SCHEMBL20614943 0.75 CYP11B2 (0.39) HPGDCYP11B2MAPTALDH1A1LMNA
SCHEMBL20622238 0.72 NOTUM (0.41) PGRHPGDSTING1HSD11B1MAPT
SCHEMBL20614944 0.72 ALDH1A1 (0.39) HPGDCYP11B2MAPTALDH1A1LMNA
SCHEMBL20620103 0.71 AVPR2 (0.43) PGRHPGDSTING1HSD11B1MAPT
SCHEMBL20620045 0.70 HDAC1 (0.42) HPGDCYP11B2MAPTALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851115-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-12-01 US disclosed
US-20190002478-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-01-03 US 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-20190002478-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 PGR 2627/4885HPGD 157/4885STING1 3246/4885
US-10851115-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 PGR 2627/4885HPGD 157/4885STING1 3246/4885

“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.