SCHEMBL17500313

SCHEMBL17500313

O=C(c1ccc2ccccc2n1)c1ccc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.63
MAPT P10636 2/20 0.63
MGAM O43451 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CCND3 P30281 1/20 0.54
CDK6 Q00534 1/20 0.54
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HSD17B14 Q9BPX1 1/20 0.47
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL1343443 0.80 CNR2 (0.78) CNR2MAPTMGAMKDM4EHDAC8
SCHEMBL11173812 0.78 CNR2 (0.55) CNR2MAPTMGAMKDM4EHDAC8
SCHEMBL30227109 0.78 CNR2 (1.00) CNR2MAPTMGAMKDM4EHDAC8
SCHEMBL7832199 0.78 CNR2 (1.00) CNR2MAPTMGAMKDM4EHDAC8
SCHEMBL11173816 0.76 KDM4E (0.60) CNR2MAPTMGAMKDM4EHDAC8
SCHEMBL6424145 0.75 P2RX7 (0.47) MAPTKDM4ECCND3CDK6RAB9A
SCHEMBL9576590 0.73 CNR2 (0.53) CNR2MAPTMGAMKDM4EHDAC8
SCHEMBL30227014 0.72 CNR2 (0.75) CNR2MAPTMGAMKDM4EHDAC8
SCHEMBL11180845 0.72 CNR2 (1.00) CNR2MAPTMGAMKDM4EHDAC8
SCHEMBL371069 0.72 TSHR (0.54) KDM4ECCND3CDK6GAARAB9A

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
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 EP disclosed
US-10106540-B2 HDAC6 inhibitors and their uses UNIVERSITÄT REGENSBURG (DE) 2018-10-23 US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
EP-3177621-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universität Regensburg (DE) 2017-06-14 EP disclosed
WO-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 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 (2 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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 CNR2 4422/4885MAPT 1414/4885MGAM 2540/4885
US-10106540-B2 HDAC6 inhibitors and their uses HDAC6, HDAC5, HDAC4 CNR2 4483/4885MAPT 1324/4885MGAM 2155/4885

“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.