SCHEMBL162480

SCHEMBL162480

COC(=O)c1c[nH]c([O])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAP2K1 Q02750 1/20 0.37
NR4A2 P43354 2/20 0.36
CREBBP Q92793 1/20 0.36
TP53 P04637 2/20 0.36
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
CYP1A2 P05177 2/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL692975 0.80 MAPK1 (0.43) MAPK1NPSR1MAPTMEN1KMT2A
SCHEMBL6100678 0.80 MAPK1 (0.43) MAPK1NPSR1MAPTMEN1KMT2A
SCHEMBL162056 0.79 MAPT (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL159836 0.79 GABRA1 (0.39) ALDH1A1
SCHEMBL165586 0.79 CYP1A2 (0.53) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL26093306 0.78 MAPK1 (0.42) MAPK1NPSR1MAPTMEN1KMT2A
SCHEMBL11322822 0.78 MAPK1 (0.42) MAPK1NPSR1MAPTMEN1KMT2A
SCHEMBL31741484 0.78 MAPK1 (0.42) MAPK1NPSR1KDM4EMAP2K1NR4A2
SCHEMBL14393519 0.77 MAPK1 (0.41) MAPK1NPSR1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL26091413 0.77 MAPK1 (0.41) MAPK1NPSR1MAPTMEN1KMT2A

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 MAPK1 2988/4885NPSR1 4694/4885MAPT 261/4885

“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.