SCHEMBL16587690

SCHEMBL16587690

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.57
▸ HPGD P15428 1/20 0.54
▸ NT5E P21589 1/20 0.52
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ TGM2 P21980 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ PNP P00491 1/20 0.47
▸ STING1 Q86WV6 4/20 0.47
▸ FUT5 Q11128 1/20 0.46
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ IMPDH2 P12268 1/20 0.45
▸ IMPDH1 P20839 1/20 0.45

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
SCHEMBL12015139 1.00 HINT1 (0.57) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL25605693 0.92 HINT1 (0.55) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL16805371 0.91 HINT1 (0.56) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL17211047 0.91 HINT1 (0.56) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL23343338 0.91 HPGD (0.63) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL12590072 0.91 HINT1 (0.56) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL27277304 0.91 HINT1 (0.56) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL12646764 0.91 HINT1 (0.56) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL25588979 0.91 HINT1 (0.56) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL21344309 0.91 NT5E (0.55) HINT1HPGDNT5EGSK3ARPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9803199-B2 Cationic lipid DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-31 — — US disclosed
US-20160257951-A1 NOVEL LIPID DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-08 — — US disclosed
US-8987226-B2 Modified single-stranded polynucleotides DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-24 — — 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-20160257951-A1 NOVEL LIPID NPC1L1, CETP, LIPC HINT1 2496/4885HPGD 3542/4885NT5E 963/4885

“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.

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