SCHEMBL14680498

SCHEMBL14680498

CN/N=C1/c2ccccc2C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.61
▸ MEN1 O00255 7/20 0.61
▸ KMT2A Q03164 7/20 0.61
▸ MAOA P21397 6/20 0.61
▸ TDP1 Q9NUW8 7/20 0.51
▸ MCL1 Q07820 6/20 0.51
▸ HPGD P15428 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ PABPC1 P11940 2/20 0.51
▸ CSNK1A1 P48729 1/20 0.51
▸ CSNK1D P48730 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PLEC Q15149 1/20 0.51
▸ CSNK1G1 Q9HCP0 1/20 0.51
▸ APEX1 P27695 3/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ MAPK1 P28482 7/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ L3MBTL1 Q9Y468 4/20 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
SCHEMBL28047900 0.79 MEN1 (0.59) MAPTMEN1KMT2AMAOATDP1
Quinizarin SCHEMBL29385801 0.78 MEN1 (1.00) MAPTMEN1KMT2AMAOATDP1
Quinizarin SCHEMBL160038 0.78 MEN1 (1.00) MAPTMEN1KMT2AMAOATDP1
Quinizarin SCHEMBL30721500 0.76 MEN1 (0.95) MAPTMEN1KMT2AMAOATDP1
Quinizarin SCHEMBL11413119 0.76 MEN1 (0.95) MAPTMEN1KMT2AMAOATDP1
Quinizarin SCHEMBL25194269 0.76 MEN1 (0.95) MAPTMEN1KMT2AMAOATDP1
Quinizarin SCHEMBL29277729 0.76 MEN1 (0.95) MAPTMEN1KMT2AMAOATDP1
Quinizarin SCHEMBL27809404 0.76 MEN1 (0.95) MAPTMEN1KMT2AMAOATDP1
SCHEMBL30341064 0.75 MAPT (0.68) MAPTMEN1KMT2AMAOATDP1
SCHEMBL8427136 0.75 MAPT (0.68) MAPTMEN1KMT2AMAOATDP1

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-8778876-B2 Small-molecule inhibitors of Dengue and West Nile virus proteases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 — — US disclosed
US-8778876-B2 Small-molecule inhibitors of Dengue and West Nile virus proteases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 — — US disclosed
US-20130035284-A1 SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-02-07 — — 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 (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-20130035284-A1 SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES SPINT2, ADAM17, ADAM33 MAPT 383/4885MEN1 4291/4885KMT2A 1907/4885

“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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