SCHEMBL1908722

SCHEMBL1908722

CCNC(=O)NC(C)(C)CNC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PAOX Q6QHF9 1/20 0.31
ACACB O00763 1/20 0.31
TSHR P16473 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
EPHX2 P34913 1/20 0.31
PARP1 P09874 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KMT2A Q03164 1/20 0.30
ADRB2 P07550 1/20 0.30

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
SCHEMBL14559564 0.83 EPHX1 (0.42) EPHX1KDM4CALDH1A1SMN1; SMN2MMP1
SCHEMBL10071176 0.80 EPHX1 (0.60) EPHX1KDM4CKDM4EALDH1A1SMN1; SMN2
SCHEMBL3156823 0.79 EPHX1 (0.42) EPHX1KDM4CALDH1A1SMN1; SMN2KMT2A
SCHEMBL618600 0.78 EPHX1 (0.44) EPHX1KDM4CALDH1A1SMN1; SMN2MMP1
SCHEMBL11932725 0.78 ADRB2 (0.37) KDM4EMAPK1HIF1AALDH1A1PAOX
SCHEMBL14214964 0.77 EPHX1 (0.49) EPHX1KDM4CALDH1A1SMN1; SMN2MMP1
SCHEMBL6262428 0.75 EPHX1 (0.42) EPHX1KDM4CALDH1A1SMN1; SMN2MMP1
SCHEMBL969173 0.75 NPC1 (0.46) EPHX1KDM4CALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL15878571 0.73 EPHX1 (0.41) EPHX1KDM4CALDH1A1SMN1; SMN2MMP1
Hydrochloric Acid SCHEMBL4519956 0.73 EPHX1 (0.41) EPHX1KDM4CALDH1A1SMN1; SMN2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX1 1339/4885KDM4C 4811/4885KDM4E 4772/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX1 1066/4885KDM4C 3843/4885KDM4E 4184/4885

“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.