SCHEMBL85728

SCHEMBL85728

CC(C)(C)C(C)(C)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 2/20 0.40
NISCH Q9Y2I1 2/20 0.33
MTOR P42345 1/20 0.31
ADK P55263 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
SCHEMBL67017 0.80
Hydrochloric Acid SCHEMBL28722063 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP19A1NISCHMTOR
SCHEMBL3434072 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CYP19A1NISCH
SCHEMBL5380824 0.76
SCHEMBL22482971 0.76
SCHEMBL19928167 0.76
SCHEMBL3403575 0.76
SCHEMBL7838270 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CYP19A1NISCHMTOR
Hydrochloric Acid SCHEMBL31019202 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP19A1NISCHMTOR
SCHEMBL9328500 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP19A1NISCHMTOR

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 ALDH1A1 1261/4885SMN1; SMN2 3749/4885CYP19A1 362/4885

“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.