SCHEMBL21471702

SCHEMBL21471702

Nc1ccc(C(=O)N2CCc3cc(C(=O)c4ncc5ccccn45)sc3-c3ccc(F)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.36
AVPR2 P30518 3/20 0.35
HTT P42858 2/20 0.35
AVPR1A P37288 1/20 0.35
GAA P10253 1/20 0.35
ADORA2A P29274 1/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.34
ROCK2 O75116 1/20 0.34
TP53 P04637 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DHODH Q02127 1/20 0.32
MAPT P10636 3/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL21478310 0.90 STING1 (0.36) CYP11B2HTTGAAADORA2ALMNA
SCHEMBL21474621 0.83 GAA (0.44) CYP11B2AVPR2HTTAVPR1AGAA
SCHEMBL21471708 0.80 DHODH (0.33) DHODH
SCHEMBL20619667 0.77 AVPR2 (0.38) CYP11B2AVPR2HTTAVPR1AGAA
SCHEMBL20622168 0.77 AVPR2 (0.41) AVPR2HTTAVPR1AGAALMNA
SCHEMBL21471711 0.76 DHODH (0.34) GAALMNAALDH1A1RAB9ANPC1
SCHEMBL21471718 0.76 AVPR2 (0.38) CYP11B2AVPR2HTTAVPR1AGAA
SCHEMBL21474754 0.76 AVPR2 (0.38) CYP11B2AVPR2HTTAVPR1AGAA
SCHEMBL21471679 0.76 AVPR2 (0.35) CYP11B2AVPR2HTTAVPR1AGAA
SCHEMBL20620045 0.75 HDAC1 (0.42) CYP11B2AVPR2HTTAVPR1AGAA

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-10975094-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-04-13 US disclosed
US-20190315766-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-10-17 US disclosed
WO-2019199908-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-10-17 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-10975094-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 CYP11B2 145/4885AVPR2 969/4885HTT 3377/4885
US-20190315766-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 CYP11B2 145/4885AVPR2 969/4885HTT 3377/4885

“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.