SCHEMBL20620169

SCHEMBL20620169

O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cc(Br)sc2-c2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
PGR P06401 1/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
STING1 Q86WV6 1/20 0.39
HTT P42858 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20622238 0.88 NOTUM (0.41) HSD11B1PGRHPGDMAPTLMNA
SCHEMBL20620045 0.86 HDAC1 (0.42) HPGDHDAC1HDAC6MAPTLMNA
SCHEMBL20620103 0.84 AVPR2 (0.43) HSD11B1PGRHPGDMAPTLMNA
SCHEMBL20618436 0.84 PGR (0.38) HSD11B1PGRHPGDMAPTLMNA
SCHEMBL20622251 0.82 L3MBTL1 (0.45) HPGDMAPTLMNAALDH1A1L3MBTL1
SCHEMBL21472043 0.79 STING1 (0.36) HSD11B1PGRHPGDMAPTLMNA
SCHEMBL20622495 0.79 AVPR2 (0.40) HSD11B1PGRHDAC1HDAC6MAPT
SCHEMBL20622199 0.78 HSD11B1 (0.41) HSD11B1PGRHPGDHDAC1HDAC6
SCHEMBL21478310 0.77 STING1 (0.36) HSD11B1PGRHPGDMAPTLMNA
SCHEMBL19078673 0.75 L3MBTL1 (0.48) HPGDMAPTLMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091501-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-08-17 US disclosed
US-20190002479-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-01-03 US disclosed
WO-2019006295-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-01-03 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-11091501-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 HSD11B1 352/4885PGR 2627/4885HPGD 157/4885
US-20190002479-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 HSD11B1 352/4885PGR 2627/4885HPGD 157/4885

“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.