SCHEMBL20599241

SCHEMBL20599241

Nc1ccc(C(=O)N2CCc3cc(C(=O)Nc4c(F)cc(F)cc4Cl)sc3-c3ccc(F)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NOTUM Q6P988 2/20 0.36
AVPR1A P37288 4/20 0.34
LMNA P02545 4/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 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
SCHEMBL20622495 0.89 AVPR2 (0.40) AVPR2HDAC1HDAC6NOTUMAVPR1A
SCHEMBL20622168 0.84 AVPR2 (0.41) AVPR2HDAC1HDAC6AVPR1ALMNA
SCHEMBL20622230 0.82 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL20619814 0.82 AVPR2 (0.42) AVPR2AVPR1AMAPTALDH1A1RAB9A
SCHEMBL20619667 0.79 AVPR2 (0.38) AVPR2HDAC1HDAC6NOTUMAVPR1A
SCHEMBL20619580 0.79 AVPR2 (0.41) AVPR2HDAC1HDAC6LMNAMAPT
SCHEMBL21474621 0.79 GAA (0.44) AVPR2HDAC1HDAC6NOTUMAVPR1A
SCHEMBL20620045 0.77 HDAC1 (0.42) AVPR2HDAC1HDAC6NOTUMAVPR1A
SCHEMBL17678691 0.76 AVPR2 (0.42) AVPR2AVPR1ALMNATP53MAPT
SCHEMBL17678620 0.76 KDM4E (0.54) AVPR2AVPR1ALMNAMAPTALDH1A1

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
US-11091501-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-08-17 US disclosed
US-11091501-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-08-17 US disclosed
WO-2019006295-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-01-03 WO disclosed
WO-2019006295-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-01-03 WO disclosed
US-20190002479-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-01-03 US disclosed
US-20190002479-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-11091501-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 AVPR2 1011/4885HDAC1 100/4885HDAC6 55/4885
US-20190002479-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 AVPR2 1011/4885HDAC1 100/4885HDAC6 55/4885

“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.