SCHEMBL5366326

SCHEMBL5366326

O=C1NCc2cc(C(=O)O)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
ALDH1A1 P00352 3/20 0.43
TDP2 O95551 1/20 0.43
CRBN Q96SW2 2/20 0.42
HTT P42858 1/20 0.42
SRD5A2 P31213 4/20 0.39
SRD5A1 P18405 3/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL31032797 1.00 PDE3B (0.54) PDE3BPDE3AKDM4EMAPTCA12
SCHEMBL9196020 0.84 ALDH1A1 (0.54) PDE3BPDE3ACYP11B1CYP11B2ALDH1A1
SCHEMBL7526652 0.82 PDE3B (0.47) PDE3BPDE3ACYP11B1CYP11B2ALDH1A1
SCHEMBL7418793 0.81 PDE3B (0.49) PDE3BPDE3ACYP11B1CYP11B2CRBN
SCHEMBL18114133 0.81 PDE3B (0.49) PDE3BPDE3AKDM4EMAPTCYP11B1
SCHEMBL16548893 0.81 PDE3B (0.60) PDE3BPDE3AMAPTCA12CA2
SCHEMBL4399635 0.81 PDE3B (0.51) PDE3BPDE3ACYP11B1CYP11B2CRBN
SCHEMBL8545280 0.79 PDE3B (0.47) PDE3BPDE3AMAPTCYP11B1CYP11B2
SCHEMBL7422630 0.79 PDE3B (0.50) PDE3BPDE3AKDM4EMAPTCYP11B1
SCHEMBL20895862 0.79 HTT (0.48) KDM4EMAPTCA12CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
WO-2015026792-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2015-02-26 WO disclosed
EP-2803667-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2014-11-19 EP disclosed
EP-2615087-A2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2013-07-17 EP disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed
EP-1700850-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-09-13 EP disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 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 (4 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-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PDE3B 822/4885PDE3A 994/4885KDM4E 3737/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 PDE3B 822/4885PDE3A 994/4885KDM4E 3737/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PDE3B 822/4885PDE3A 994/4885KDM4E 3737/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PDE3B 822/4885PDE3A 994/4885KDM4E 3737/4885

“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.