SCHEMBL85656

SCHEMBL85656

CC(C)(C)C(C)(C)c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL179267 0.75 HDAC8 (0.35) HDAC8HSP90AA1KDM4EALDH1A1KMT2A
SCHEMBL31175998 0.73 HDAC8 (0.33) HDAC8HSP90AA1KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6587339 0.73 KDM4E (0.36) HDAC8HSP90AA1KDM4EALDH1A1KMT2A
SCHEMBL31194454 0.73 HDAC8 (0.33) HDAC8HSP90AA1KDM4EALDH1A1KMT2A
SCHEMBL28198650 0.73 HDAC8 (0.33) HDAC8HSP90AA1KDM4EALDH1A1KMT2A
SCHEMBL19814728 0.71 HSP90AA1 (0.38) HDAC8HSP90AA1
SCHEMBL31692011 0.71 HDAC8 (0.32) HDAC8HSP90AA1
SCHEMBL22047644 0.71 HDAC8 (0.32) HDAC8HSP90AA1
SCHEMBL5711286 0.71 HDAC8 (0.32) HDAC8HSP90AA1
SCHEMBL658284 0.71 HDAC8 (0.32) HDAC8HSP90AA1KDM4EALDH1A1

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-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 US 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-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B HDAC8 3033/4885HSP90AA1 1676/4885KDM4E 3956/4885

“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.