SCHEMBL4583699

SCHEMBL4583699

O=C(O)Cc1cc2ccccc2nc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 4/20 1.00
KMT2A Q03164 3/20 1.00
MEN1 O00255 2/20 1.00
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
MGAM O43451 2/20 0.44
AKR1B1 P15121 1/20 0.43
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL30301321 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL28992953 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL26969215 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3625129 0.81 KMT2A (0.69) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL28992969 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL24597657 0.80 KDM4E (0.67) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL10473740 0.80 ALDH1A1 (0.66) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL10509302 0.79 KDM4E (0.65) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL27524110 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL28231528 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1952797-A1 Use of a cosmetic composition comprising NMDA receptor agonists for cosmetic skin treatment Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2008-08-06 EP claimed
EP-1800672-A1 Pharmaceutical composition and the use therof for the treatment of dermatoses Dr. August Wolff GmbH & Co. (DE) 2007-06-27 EP claimed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
EP-1952797-A1 Use of a cosmetic composition comprising NMDA receptor agonists for cosmetic skin treatment Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2008-08-06 EP disclosed
EP-1800672-A1 Pharmaceutical composition and the use therof for the treatment of dermatoses Dr. August Wolff GmbH & Co. (DE) 2007-06-27 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 (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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS ALDH1A1 4360/4885KDM4E 1669/4885KMT2A 2736/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS ALDH1A1 4064/4885KDM4E 3796/4885KMT2A 4241/4885

“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.