SCHEMBL658391

SCHEMBL658391

COc1cc(C#N)ccc1NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACHE P22303 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SUV39H2 Q9H5I1 2/20 0.41
▸ KDM4D Q6B0I6 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ ABCB1 P08183 1/20 0.39

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
SCHEMBL17414151 0.83 LPAR1 (0.50) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL23099416 0.83 BCHE (0.42) SUV39H2KDM4D
SCHEMBL21056153 0.82 KDM4E (0.50) ALDH1A1MAPTGAAHTTSUV39H2
SCHEMBL8052509 0.79 PTPN11 (0.53) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL30305200 0.79 ABCB1 (0.43) ALDH1A1GAAKDM4DPTPN11ABCB1
SCHEMBL23775495 0.79 ABCB1 (0.43) ALDH1A1GAAKDM4DPTPN11ABCB1
SCHEMBL658538 0.76 ALDH1A1 (0.42) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL17662315 0.76 KMT2A (0.60) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL658861 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1GAAKMT2A
Trifluoroacetic Acid SCHEMBL660384 0.74 CHIT1 (0.46) ALDH1A1MAPTMEN1GAAKMT2A

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
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 — — WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 — — 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-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 ALDH1A1 1065/4885MAPT 3625/4885MEN1 1998/4885

“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.

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