SCHEMBL14802428

SCHEMBL14802428

NCc1ccc(OBO)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.50
ABAT P80404 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MAOB P27338 6/20 0.42
LOXL2 Q9Y4K0 5/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40

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
SCHEMBL553009 0.81 ST14 (0.54) ST14ABATHRH3MAOBLOXL2
SCHEMBL14477632 0.80 MEN1 (0.33)
SCHEMBL819826 0.79 LTA4H (0.50) HRH3
Hydrochloric Acid SCHEMBL724006 0.79 ST14 (0.52) ST14ABATHRH3MAOBLOXL2
SCHEMBL16141145 0.77 TRPA1 (0.39)
SCHEMBL19342361 0.77 CA2 (0.50) HRH3
SCHEMBL18927002 0.77 SMN1; SMN2 (0.46)
SCHEMBL14727608 0.77 SLC6A4 (0.38)
SCHEMBL19497906 0.74 THRB (0.49)
SCHEMBL14924826 0.74 IDO1 (0.41) MAOB

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
CN-114983940-A Bioactive nano micelle and synthesis method thereof 汉中职业技术学院 2022-09-02 CN disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 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-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT ST14 4306/4885ABAT 234/4885HRH3 244/4885
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 ST14 3700/4885ABAT 4659/4885HRH3 2675/4885

“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.