SCHEMBL14861024

SCHEMBL14861024

CC(Cl)OCCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 2/20 0.45
MAOB P27338 4/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
GLS O94925 1/20 0.42

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
SCHEMBL30274345 0.88 L3MBTL1 (0.53) HPGDNPSR1L3MBTL1RAB9ANPC1
SCHEMBL25040676 0.88 L3MBTL1 (0.53) HPGDNPSR1L3MBTL1RAB9ANPC1
SCHEMBL14860956 0.85 HPGD (0.49) HPGDNPSR1L3MBTL1RAB9ANPC1
SCHEMBL7519591 0.84 GAA (0.60) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL8862940 0.84 GAA (0.60) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL8862746 0.84 GAA (0.60) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL8862856 0.84 GAA (0.60) HPGDNPSR1RAB9ANPC1TSHR
SCHEMBL2743018 0.82 HPGD (0.61) HPGDNPSR1L3MBTL1RAB9ANPC1
SCHEMBL14322882 0.82 HPGD (0.46) HPGDNPSR1L3MBTL1RAB9ANPC1
SCHEMBL18355157 0.80 HPGD (0.53) HPGDNPSR1L3MBTL1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216445-A1 CXCR4 INHIBITING CARRIERS FOR NUCLEIC ACID DELIVERY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-9545453-B2 CXCR4 inhibiting carriers for nucleic acid delivery WAYNE STATE UNIVERSITY (US) 2017-01-17 US disclosed
US-20140243397-A1 CXCR4 INHIBITING CARRIERS FOR NUCLEIC ACID DELIVERY WAYNE STATE UNIVERSITY 2014-08-28 US disclosed
WO-2013056250-A2 CXCR4 INHIBITING CARRIERS FOR NUCLEIC ACID DELIVERY WAYNE STATE UNIVERSITY (US) 2013-04-18 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 (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-20140243397-A1 CXCR4 INHIBITING CARRIERS FOR NUCLEIC ACID DELIVERY CXCL12, CXCR4, CXCR2 HPGD 1488/4885NPSR1 285/4885L3MBTL1 1672/4885
US-20170216445-A1 CXCR4 INHIBITING CARRIERS FOR NUCLEIC ACID DELIVERY CXCL12, CXCR4, CXCR2 HPGD 1451/4885NPSR1 318/4885L3MBTL1 1687/4885

“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.