SCHEMBL19682250

SCHEMBL19682250

[N-]=[N+]=NCCO[C@@H]1O[C@H](COCc2ccccc2)C(O)C1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD209 Q9NNX6 1/20 0.45
▸ LGALS3 P17931 2/20 0.44
▸ GJB2 P29033 1/20 0.43
▸ SLC6A2 P23975 2/20 0.42
▸ NT5E P21589 1/20 0.41
▸ PTPN1 P18031 6/20 0.41
▸ CDC25B P30305 6/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ SSTR4 P31391 2/20 0.40
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ PTPN2 P17706 2/20 0.40
▸ PTPN6 P29350 2/20 0.40
▸ PTPN11 Q06124 2/20 0.40
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL21258926 0.97 CD209 (0.45) CD209LGALS3GJB2SLC6A2NT5E
SCHEMBL21149838 0.95 LGALS3 (0.47) CD209LGALS3GJB2SLC6A2NT5E
SCHEMBL25270558 0.91 LGALS3 (0.48) CD209LGALS3GJB2SLC6A2NT5E
SCHEMBL20648775 0.91 LGALS3 (0.48) CD209LGALS3GJB2SLC6A2NT5E
SCHEMBL13557604 0.88 CD209 (0.47) CD209LGALS3GJB2SLC6A2PTPN1
SCHEMBL19196760 0.86 CD209 (0.45) CD209LGALS3GJB2SLC6A2PTPN1
SCHEMBL28770854 0.86 NT5E (0.47) CD209LGALS3GJB2SLC6A2NT5E
SCHEMBL19682252 0.85 NT5E (0.44) LGALS3NT5EPTPN1CDC25BSSTR4
SCHEMBL29233702 0.84 LGALS3 (0.48) LGALS3GJB2NT5EPTPN1CDC25B
SCHEMBL22842843 0.82 LGALS3 (0.46) LGALS3GJB2NT5EPTPN1CDC25B

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-20190247495-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY 2019-08-15 — — US disclosed
US-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY (US) 2017-12-07 — — 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 (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-20190247495-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A CD209 81/4885LGALS3 46/4885GJB2 4753/4885
US-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A CD209 81/4885LGALS3 46/4885GJB2 4753/4885

“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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