SCHEMBL2230478

SCHEMBL2230478

O=C(NO)c1nccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
HDAC6 Q9UBN7 5/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
CNR2 P34972 5/20 0.54
MMP3 P08254 1/20 0.53
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
FDPS P14324 1/20 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
SCHEMBL5655604 0.84 RAB9A (0.62) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL30956107 0.84 RAB9A (0.58) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL25474761 0.84 RAB9A (0.58) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL13306750 0.84 RAB9A (0.58) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL5500063 0.81 MAPT (0.66) RAB9ACNR2MEN1TP53MAPT
SCHEMBL4404077 0.81 CNR2 (0.64) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL24898028 0.80 RAB9A (0.55) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL23985231 0.80 RAB9A (0.58) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL24898159 0.80 RAB9A (0.66) RAB9AHDAC6HDAC8HDAC3HDAC4
SCHEMBL28585340 0.80 RAB9A (0.55) RAB9AHDAC6HDAC8HDAC3HDAC4

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
CN-111233849-A Novel isoquinoline-oxazoline chiral ligand and preparation and application thereof 南京农业大学 2020-06-05 CN disclosed
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
WO-2010024911-A1 METHODS FOR INCREASING NEUROGENESIS 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 RAB9A 3751/4885HDAC6 137/4885HDAC8 424/4885

“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.