SCHEMBL3827461

SCHEMBL3827461

CCNC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
EPHX1 P07099 1/20 0.44
NAMPT P43490 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
PDE4B Q07343 1/20 0.38
PTPN2 P17706 1/20 0.38

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
SCHEMBL24654594 0.88 NR1H2 (0.50) NR1H2EPHX1NAMPTUSP2SMN1; SMN2
SCHEMBL652761 0.87 EPHX1 (0.54) NR1H2EPHX1BRD4ALDH1A1MAPT
SCHEMBL3255861 0.87 EPHX1 (0.54) NR1H2EPHX1BRD4ALDH1A1MAPT
SCHEMBL2498330 0.87 EPHX1 (0.54) NR1H2EPHX1BRD4ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2498984 0.86 EPHX1 (0.52) NR1H2EPHX1BRD4ALDH1A1MAPT
SCHEMBL6900671 0.85 MEN1 (0.52) NR1H2EPHX1BRD4ALDH1A1MAPT
SCHEMBL653186 0.83 EPHX1 (0.60) EPHX1USP2SMN1; SMN2ALDH1A1MAPT
SCHEMBL21081463 0.83 NR1H2 (0.49) NR1H2EPHX1NAMPTUSP2SMN1; SMN2
SCHEMBL2907249 0.83 NR1H2 (0.53) NR1H2EPHX1NAMPTUSP2SMN1; SMN2
SCHEMBL22989923 0.82 NR1H2 (0.48) NR1H2EPHX1NAMPTUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109892-A1 COMPOUND FOR INHIBITING OR DEGRADING BRD9, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 海思科医药集团股份有限公司 2023-06-22 WO disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
WO-2021027943-A1 PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-02-18 WO disclosed
US-10676429-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2020-06-09 US disclosed
EP-3050885-B1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-10-18 EP disclosed
WO-2014033176-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2014-03-06 WO disclosed
WO-2014033170-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2014-03-06 WO disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-10676429-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B SULT2A1, HCCS, SULT1A1 NR1H2 87/4885EPHX1 1846/4885NAMPT 229/4885
US-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 NR1H2 4156/4885EPHX1 4407/4885NAMPT 2729/4885

“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.