SCHEMBL20469712

SCHEMBL20469712

CC(=O)Nc1ccc2oc(-c3cccc(C(=O)N4CCN(C(c5ccccc5)c5nnc(C)o5)CC4)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ POLB P06746 3/20 0.52
▸ UTRN P46939 1/20 0.47
▸ MAPT P10636 7/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ DUSP1 P28562 1/20 0.42
▸ NFKB1 P19838 1/20 0.42

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
SCHEMBL23542072 0.93 MAPT (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL20469856 0.90 PTPN5 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL20469756 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL23542059 0.89 KMT2A (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL20469808 0.88 FASN (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ACASP3
SCHEMBL20469711 0.88 FASN (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL20469708 0.87 MGLL (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL23542108 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL23542112 0.86 MGLL (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL20469661 0.86 MGLL (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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-11040963-B2 Piperazine derivatives for influenza virus inhibitions JANSSEN VACCINES & PREVENTION B.V. (NL) 2021-06-22 — — US disclosed
WO-2018141854-A1 PIPERAZINE DERIVATIVES FOR INFLUENZA VIRUS INHIBITION JANSSEN VACCINES & PREVENTION B.V. (NL) 2018-08-09 — — 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 (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-11040963-B2 Piperazine derivatives for influenza virus inhibitions HAVCR2, BAZ2A, MAVS ALDH1A1 631/4885SMN1; SMN2 4850/4885NPC1 720/4885

“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.

Send feedback