SCHEMBL18482995

SCHEMBL18482995

NC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CSc3cccc(CC(=O)O)c3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
SIRT3 Q9NTG7 2/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
HDAC1 Q13547 1/20 0.37
SLC34A2 O95436 1/20 0.36
LRRK2 Q5S007 2/20 0.36
PARP1 P09874 1/20 0.35
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35
AURKB Q96GD4 2/20 0.35
PDPK1 O15530 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL19579944 0.86 SLC34A2 (0.52) SLC34A2RAB9AROCK2
SCHEMBL19595685 0.86 SLC34A2 (0.46) SIRT2SIRT1SIRT3HDAC1SLC34A2
SCHEMBL46868 0.85 BDKRB1 (0.45) MEN1KMT2A
SCHEMBL19595896 0.84 SLC34A2 (0.41) SIRT2SIRT1SIRT3HDAC1SLC34A2
SCHEMBL19596016 0.82 MAPT (0.37) HDAC1LRRK2PARP1MEN1KMT2A
SCHEMBL40129 0.82 ALDH1A1 (0.48) SIRT2SIRT1SIRT3HDAC1MEN1
SCHEMBL19579998 0.81 SLC34A2 (0.52) HDAC1SLC34A2RAB9AROCK2
SCHEMBL46796 0.79 SLC34A2 (0.52) SLC34A2RAB9AROCK2
SCHEMBL39793 0.79 SLC34A2 (0.52) SLC34A2RAB9AROCK2
SCHEMBL19580048 0.79 SLC34A2 (0.53) SLC34A2RAB9AROCK2

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
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SIRT2 4023/4885SIRT1 3614/4885SIRT3 3850/4885

“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.