SCHEMBL516118

SCHEMBL516118

NNC(=O)c1cccc2c1oc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
HDAC8 Q9BY41 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
MAOB P27338 1/20 0.49
GLA P06280 1/20 0.45
ICMT O60725 1/20 0.44
CTSD P07339 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
P2RX7 Q99572 1/20 0.42
MAOA P21397 1/20 0.42
LMNA P02545 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
GGPS1 O95749 1/20 0.40

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
SCHEMBL976167 0.87 HDAC8 (0.59) ALOX5HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL6238717 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMAPTMAOB
SCHEMBL28084237 0.83 ALDH1A1 (0.59) ALOX5HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL4586057 0.83 ALOX5 (0.48) ALOX5HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL783749 0.81 NR4A1 (0.50) ALOX5ALDH1A1KDM4EMAOBGLA
SCHEMBL22645256 0.80 MAPT (0.51) ALOX5HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL14825579 0.79 ALOX5 (0.48) ALOX5HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL24008857 0.79 CAPN1 (0.44) ALOX5HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL8820480 0.79 ALOX5 (0.48) ALOX5HDAC8HDAC1HDAC6ALDH1A1
SCHEMBL516174 0.79 KDM4E (0.53) ALOX5HDAC8HDAC1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028968-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-02-02 US disclosed
WO-2010086279-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-08-05 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-20120028968-A1 NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA6, CHRNA7 ALOX5 1931/4885HDAC8 2677/4885HDAC1 2099/4885

“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.