SCHEMBL2230795

SCHEMBL2230795

O=C(c1cccc2ccccc12)N(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.61
NR4A2 P43354 1/20 0.61
NR4A3 Q92570 1/20 0.61
MMP3 P08254 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
PTPN1 P18031 1/20 0.53
CDC25B P30305 1/20 0.53
PLK1 P53350 1/20 0.53
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTK2B Q14289 1/20 0.47
POLB P06746 3/20 0.46

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
SCHEMBL27813032 0.84 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10995822 0.84 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9480890 0.82 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9480896 0.82 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10407111 0.82 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29002838 0.82 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL8376485 0.82 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9548533 0.79 NR4A1 (0.60) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL11323085 0.79 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL7218991 0.78 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM NR4A1 3771/4885NR4A2 3438/4885NR4A3 2788/4885

“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.