SCHEMBL839846

SCHEMBL839846

CCCN1C(=O)CNC1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
RIN1 Q13671 1/20 0.38
CYP19A1 P11511 3/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRPF1 P55201 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
SCHEMBL7453981 0.87 TSHR (0.47) TSHRGSK3AGSK3BCYP19A1SMN1; SMN2
SCHEMBL2991298 0.85 MGLL (0.47) TSHRGSK3AGSK3BCYP19A1ALDH1A1
SCHEMBL9805872 0.84 MGLL (0.50) TSHRGSK3AGSK3BCYP19A1
SCHEMBL9805904 0.84 MGLL (0.50) TSHRGSK3AGSK3BCYP19A1
SCHEMBL9805915 0.84 MGLL (0.50) TSHRGSK3AGSK3BCYP19A1
SCHEMBL9805873 0.84 MGLL (0.50) TSHRGSK3AGSK3BCYP19A1
SCHEMBL9805920 0.84 MGLL (0.50) TSHRGSK3AGSK3BCYP19A1
SCHEMBL9805934 0.84 MGLL (0.50) TSHRGSK3AGSK3BCYP19A1
SCHEMBL9805866 0.84 MGLL (0.50) TSHRGSK3AGSK3BCYP19A1
SCHEMBL9805882 0.84 MGLL (0.50) TSHRGSK3AGSK3BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
WO-2024091894-A1 PNU ANTHRACYCLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-02 WO disclosed
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 US disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
WO-2014184163-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 WO disclosed
US-8721781-B2 Ink composition SEIKO EPSON CORPORATION (JP) 2014-05-13 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-20120227620-A1 INK COMPOSITION SEIKO EPSON CORPORATION (JP) 2012-09-13 US disclosed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
US-20080187978-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-08-07 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 (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-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 TSHR 1187/4885GSK3A 1916/4885GSK3B 1479/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 TSHR 4000/4885GSK3A 1637/4885GSK3B 1705/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 TSHR 2520/4885GSK3A 3885/4885GSK3B 3555/4885
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 TSHR 313/4885GSK3A 4644/4885GSK3B 4571/4885

“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.