SCHEMBL20618462

SCHEMBL20618462

c1ccc2nc(-c3ccc4cc(-c5ccc6c(c5)NCCC6)ncc4c3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.39
▸ RAB9A P51151 10/20 0.39
▸ KDM4E B2RXH2 9/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP3A4 P08684 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ AR P10275 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL20622490 0.84 TDP2 (0.43) KDM4ECYP1A2NISCHSYKMAPKAPK2
SCHEMBL26040396 0.79 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20642575 0.77 TDP1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL18845434 0.75 NPC1 (0.45) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL15397046 0.74 NPC1 (0.59) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19772294 0.72 NPC1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17343466 0.72 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17343363 0.72 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL18717161 0.71 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31038194 0.71 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 NPC1 250/4885RAB9A 575/4885KDM4E 1342/4885

“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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