SCHEMBL8021068

SCHEMBL8021068

COC(=O)CNc1ccccc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.54
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 4/20 0.52
GAA P10253 4/20 0.52
ATM Q13315 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.49
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPK1 P28482 1/20 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
SCHEMBL7835963 0.85 ADRA2C (0.58) ADRA2CPOLBL3MBTL1GAAATM
SCHEMBL5123431 0.83 GAA (0.55) POLBL3MBTL1GAAALDH1A1TDP1
Hydrochloric Acid SCHEMBL5774955 0.82 GAA (0.53) POLBL3MBTL1GAAALDH1A1TDP1
SCHEMBL8009658 0.78 HPGD (0.58) POLBALDH1A1RAB9ALMNARECQL
SCHEMBL8021547 0.77 ALDH1A1 (0.55) POLBALDH1A1RAB9ALMNAMEN1
SCHEMBL646784 0.76 FFAR1 (0.46) GAAALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL31539990 0.76 TSHR (0.53) ADRA2CPOLBL3MBTL1GAAATM
SCHEMBL12691945 0.76 TSHR (0.53) ADRA2CPOLBL3MBTL1GAAATM
SCHEMBL2093001 0.76 ADRA2C (0.62) ADRA2CPOLBL3MBTL1GAAATM
SCHEMBL6902818 0.75 MAPT (0.45) POLBGAAALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624022-B2 Substituted aniline derivatives UCB PHARMA, S.A. (BE) 2014-01-07 US disclosed
US-20120029188-A1 Substituted Aniline Derivatives UCB PHARMA S.A. (BE) 2012-02-02 US disclosed
US-8071582-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2011-12-06 US disclosed
US-20110014271-A1 Substituted Aniline Derivatives UCB PHARMA S.A. (BE) 2011-01-20 US disclosed
US-7678785-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2010-03-16 US disclosed
US-7678785-B2 Substituted aniline derivatives UCB PHARMA S.A. (BE) 2010-03-16 US disclosed
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-02-21 US disclosed
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES UCB PHARMA S.A. (BE) 2008-02-21 US disclosed
CN-1610659-A Carboxylic acid derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2005-04-27 CN disclosed
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US disclosed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP disclosed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO 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-20120029188-A1 Substituted Aniline Derivatives NAT1, DPM1, IL4I1 ADRA2C 1604/4885POLB 1221/4885L3MBTL1 1325/4885
US-20080045497-A1 SUBSTITUTED ANILINE DERIVATIVES DPM1, ERG28, IL4I1 ADRA2C 1801/4885POLB 2192/4885L3MBTL1 2070/4885
US-20110014271-A1 Substituted Aniline Derivatives NAT1, DPM1, IL4I1 ADRA2C 1604/4885POLB 1221/4885L3MBTL1 1325/4885

“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.