SCHEMBL17022709

SCHEMBL17022709

O=C(Oc1ccc(-c2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.63
FAAH O00519 1/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.52
PPARG P37231 1/20 0.51
ALOX5 P09917 2/20 0.50
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
MCL1 Q07820 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL1639306 0.93 GAA (0.59) POLBMAPK1FAAHALDH1A1SMN1; SMN2
SCHEMBL20377184 0.91 SMN1; SMN2 (0.64) POLBMAPK1FAAHALDH1A1SMN1; SMN2
SCHEMBL6322393 0.91 SMN1; SMN2 (0.64) POLBMAPK1FAAHALDH1A1SMN1; SMN2
SCHEMBL29769770 0.90 ALOX5 (0.65) POLBMAPK1FAAHALDH1A1SMN1; SMN2
SCHEMBL26374 0.88 GAA (0.65) MAPK1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL16335594 0.86 PKM (0.68) POLBMAPK1FAAHALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7895043 0.86 GAA (0.62) MAPK1ALDH1A1SMN1; SMN2GAAMAPT
Acetic Acid SCHEMBL28965272 0.84 GAA (0.62) POLBMAPK1ALDH1A1SMN1; SMN2GAA
SCHEMBL26654348 0.84 GAA (0.57) MAPK1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL9333093 0.84 KMT2A (0.66) POLBMAPK1ALDH1A1SMN1; SMN2GAA

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-20230158146-A1 HSP70 Inhibitors and Methods of Using Same THE WISTAR INST (US) 2023-05-25 US disclosed
EP-2910561-A1 Sialic acid derivatives Brossmer, Reinhard (DE) 2015-08-26 EP 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-20230158146-A1 HSP70 Inhibitors and Methods of Using Same HSPA2, HSPBP1, HSP90AB1 POLB 2670/4885MAPK1 1140/4885FAAH 3846/4885

“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.