SCHEMBL5896940

SCHEMBL5896940

O=C(O)c1ccccc1C(=O)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.74
TDP1 Q9NUW8 1/20 0.74
KMT2A Q03164 3/20 0.70
RAB9A P51151 1/20 0.69
PYGL P06737 1/20 0.66
ATM Q13315 1/20 0.59
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.58
MITF O75030 1/20 0.58
LMNA P02545 1/20 0.58
ADRA2C P18825 1/20 0.57
PYGM P11217 1/20 0.57
GAA P10253 3/20 0.56
ALDH1A1 P00352 1/20 0.56
CRHBP P24387 1/20 0.56
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
CRHR2 Q13324 1/20 0.56

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
SCHEMBL7123098 0.88 PYGL (0.83) L3MBTL1TDP1KMT2ARAB9APYGL
SCHEMBL12189439 0.85 PYGM (0.66) L3MBTL1TDP1KMT2ARAB9APYGL
SCHEMBL12368199 0.85 RAB9A (0.89) L3MBTL1TDP1KMT2ARAB9AATM
SCHEMBL12189446 0.84 TDP1 (0.62) L3MBTL1TDP1KMT2ARAB9APYGL
SCHEMBL7118256 0.83 PYGL (0.74) L3MBTL1TDP1KMT2ARAB9APYGL
SCHEMBL6802094 0.83 KMT2A (1.00) KMT2ARAB9ATSHRMAPK1MEN1
SCHEMBL11016717 0.82 TSHR (0.68) L3MBTL1TDP1KMT2ARAB9APYGL
SCHEMBL27943418 0.82 MAPT (0.67) L3MBTL1TDP1KMT2ARAB9AATM
SCHEMBL7123047 0.81 PYGL (0.76) L3MBTL1TDP1KMT2ARAB9APYGL
SCHEMBL30462469 0.81 FABP4 (0.57) L3MBTL1TDP1KMT2ARAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 US disclosed
US-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 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 (3 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 L3MBTL1 3370/4885TDP1 2961/4885KMT2A 1142/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI L3MBTL1 4022/4885TDP1 2026/4885KMT2A 2664/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 L3MBTL1 3370/4885TDP1 2961/4885KMT2A 1142/4885

“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.