SCHEMBL165474

SCHEMBL165474

COC(=O)n1ccc([O])n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
F2 P00734 2/20 0.36
ALOX15 P16050 1/20 0.36
LPO P22079 4/20 0.35
P2RX4 Q99571 2/20 0.34
PLAU P00749 2/20 0.34
ELANE P08246 2/20 0.34
JMJD6 Q6NYC1 1/20 0.34
KLKB1 P03952 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
SCN4A P35499 1/20 0.34
BCHE P06276 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL161442 0.81 KMT2A (0.48) KMT2AF2ALOX15LPOJMJD6
SCHEMBL12128384 0.80 PLAU (0.51) KMT2AF2ALOX15LPOPLAU
SCHEMBL159357 0.79 BCHE (0.38) KMT2ABCHEMAPTMEN1ALDH1A1
SCHEMBL162414 0.79 P2RX4 (0.38) KMT2AF2P2RX4PLAUELANE
SCHEMBL3460604 0.78 KMT2A (0.37) KMT2AF2ALOX15LPOP2RX4
SCHEMBL162196 0.76 SCN4A (0.47) KMT2APLAUELANESCN4ABCHE
SCHEMBL164431 0.74 KMT2A (0.52) KMT2AF2ALOX15BCHEMAPT
SCHEMBL161438 0.72 P2RX4 (0.39) P2RX4SCN4ABCHESMN1; SMN2NPC1
SCHEMBL7379512 0.68 ALDH1A1 (0.34) KMT2AALDH1A1
SCHEMBL166278 0.67 MAPT (0.43) KMT2AMAPTSMN1; SMN2RAB9AMEN1

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 2544/4885F2 2978/4885ALOX15 417/4885

“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.