SCHEMBL85669

SCHEMBL85669

CC(C)(C)C(C)(C)c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.34
KIF11 P52732 1/20 0.31
P2RX7 Q99572 1/20 0.31
LATS1 O95835 1/20 0.30
LATS2 Q9NRM7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL179269 0.81 CYP19A1 (0.46) CYP19A1HSP90AA1CYP3A4KIF11P2RX7
SCHEMBL21101453 0.78 CYP19A1 (0.38) CYP19A1HSP90AA1CYP3A4LATS1LATS2
SCHEMBL27886405 0.77 CYP19A1 (0.47) CYP19A1HSP90AA1CYP3A4KIF11P2RX7
SCHEMBL31691964 0.77 CYP19A1 (0.43) CYP19A1HSP90AA1CYP3A4KIF11P2RX7
SCHEMBL16091462 0.77 CYP19A1 (0.52) CYP19A1HSP90AA1CYP3A4KIF11P2RX7
SCHEMBL16454356 0.77 CYP19A1 (0.43) CYP19A1HSP90AA1CYP3A4KIF11P2RX7
SCHEMBL16454702 0.77 CYP19A1 (0.43) CYP19A1HSP90AA1CYP3A4KIF11P2RX7
SCHEMBL4879351 0.76 CYP19A1 (0.42) CYP19A1HSP90AA1CYP3A4KIF11CYP2D6
SCHEMBL24137127 0.74 CYP19A1 (0.41) CYP19A1HSP90AA1CYP3A4KIF11
SCHEMBL16677128 0.74 CYP19A1 (0.41) CYP19A1HSP90AA1CYP3A4P2RX7KDM4E

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 4 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-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
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 CYP19A1 362/4885HSP90AA1 1676/4885CYP3A4 2738/4885

“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.