SCHEMBL163302

SCHEMBL163302

CCOC(=O)c1cc([O])[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.50
TP53 P04637 3/20 0.49
THRB P10828 2/20 0.49
CYP1A2 P05177 1/20 0.49
PDE4D Q08499 1/20 0.47
MAPT P10636 1/20 0.45
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL163612 0.86 ALDH1A1 (0.43) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL1665229 0.84 DAO (0.58) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL165041 0.83 ESR1 (0.46) L3MBTL1TP53CYP1A2PDE4DMAPT
SCHEMBL1007015 0.82 MAPK1 (0.61) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL1423671 0.82 KMT2A (0.54) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL163888 0.81 TSHR (0.45) KMT2ANPSR1L3MBTL1POLBTP53
Ethane SCHEMBL6614658 0.81 MAPK1 (0.59) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL20746019 0.81 L3MBTL1 (0.58) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL930612 0.81 KMT2A (0.52) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL17593217 0.81 KMT2A (0.52) KMT2ANPSR1L3MBTL1POLBTP53

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 KMT2A 2544/4885NPSR1 4694/4885L3MBTL1 1654/4885

“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.