SCHEMBL260170

SCHEMBL260170

CNC(=O)NCNC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PAOX Q6QHF9 3/20 0.33
ADRA1A P35348 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.31
NFKB1 P19838 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17403434 0.97 KDM4E (0.39) KDM4EMAPK1HIF1ATSHRHSD17B10
SCHEMBL13161499 0.89 HSD17B10 (0.41) MAPK1TSHRHSD17B10ALDH1A1KEAP1
SCHEMBL13029372 0.86 HSD17B10 (0.40) MAPK1TSHRHSD17B10ALDH1A1KEAP1
SCHEMBL13144610 0.84 KDM4E (0.40) KDM4EMAPK1HIF1ATSHRNPSR1
SCHEMBL170514 0.83
SCHEMBL2616818 0.80
SCHEMBL4390993 0.79 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRHSD17B10
SCHEMBL6754730 0.77
SCHEMBL15887292 0.77 ALDH1A1 (0.41) HSD17B10ALDH1A1KEAP1NFE2L2KMT2A
SCHEMBL14601546 0.75 KDM4E (0.37) KDM4EMAPK1HIF1ATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015120-A1 Self-assembling monomers and oligomers as surface-modifying endgroups for polymers DSM IP ASSETS BV (NL) 2018-01-18 US disclosed
US-9801372-B2 Polymers for increasing the soil mobility of low-solubility insecticides BASF SE (DE) 2017-10-31 US disclosed
US-20120095166-A1 SELF-ASSEMBLING MONOMERS AND OLIGOMERS AS SURFACE-MODIFYING ENDGROUPS FOR POLYMERS WARD ROBERT S (US) 2012-04-19 US disclosed
US-20120053221-A1 Polymers for Increasing the Soil Mobility of Low-Solubility Insecticides BASF SE (DE) 2012-03-01 US disclosed
US-8063238-B2 Diamine compound having phosphorylcholine group, polymer thereof, and process for producing the polymer TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-11-22 US disclosed
US-20100036081-A1 Diamine Compound Having Phosphorylcholine Group, Polymer Thereof, and Process for Producing the Polymer TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-02-11 US disclosed
US-20090221433-A1 SMALL MOLECULE PRINTING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-03 US disclosed
US-7378538-B2 Compound having phosphorylcholine group, polymer thereof and process for producing the same TOKAI UNIVERSITY (JP) 2008-05-27 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 (3 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-20120053221-A1 Polymers for Increasing the Soil Mobility of Low-Solubility Insecticides SMARCA1, PWWP2B, SMARCB1 KDM4E 2325/4885MAPK1 1600/4885HIF1A 4143/4885
US-20100036081-A1 Diamine Compound Having Phosphorylcholine Group, Polymer Thereof, and Process for Producing the Polymer PHOSPHO1, PCTP, PDAP1 KDM4E 659/4885MAPK1 202/4885HIF1A 2917/4885
US-20180015120-A1 Self-assembling monomers and oligomers as surface-modifying endgroups for polymers MLX, SRRM2, LIMA1 KDM4E 2588/4885MAPK1 4276/4885HIF1A 3788/4885

“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.