SCHEMBL17523558

SCHEMBL17523558

CC(=O)NCc1ccc(C)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
SETDB1 Q15047 5/20 0.45
VHL P40337 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MTNR1A P48039 1/20 0.39
NQO2 P16083 1/20 0.38
P2RX7 Q99572 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
KLKB1 P03952 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 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
SCHEMBL23279842 0.83 F2 (0.53) NPSR1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4897153 0.78 MCL1 (0.49) ALDH1A1KDM4EP2RX7F2PRSS1
SCHEMBL20038391 0.75 SLC6A4 (0.36) KMT2AALDH1A1KDM4EMAPTHSD17B10
SCHEMBL19323056 0.74 CYP2C9 (0.54) NPSR1SETDB1VHLKMT2AMTNR1A
SCHEMBL30421108 0.74 CYP2C9 (0.54) NPSR1SETDB1VHLKMT2AMTNR1A
SCHEMBL16793671 0.72 KLKB1 (0.39) NPSR1SETDB1ALDH1A1KDM4EP2RX7
SCHEMBL7573152 0.72 CCR1 (0.40) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30585580 0.72 CCR1 (0.40) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20038385 0.72 PDCD1LG2 (0.41) NPSR1ALDH1A1KDM4EMAPTHPGD
SCHEMBL21193078 0.71 SETDB1 (0.45) NPSR1SETDB1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 US disclosed
US-20160046606-A1 CXCR4 Receptor Antagonists PROXIMAGEN LIMITED (GB) 2016-02-18 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 (1 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-20160046606-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 NPSR1 18/4885SETDB1 4725/4885VHL 1653/4885

“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.