SCHEMBL9893862

SCHEMBL9893862

CC(=O)NCCNc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ LIPE Q05469 7/20 0.39
▸ MTNR1A P48039 5/20 0.39
▸ MTNR1B P49286 5/20 0.39
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CLK4 Q9HAZ1 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL29895467 0.81 LIPE (0.49) LIPEMAPK1CYP1A2CYP3A4HSD17B10
SCHEMBL1797092 0.81 LIPE (0.49) LIPEMAPK1CYP1A2CYP3A4HSD17B10
SCHEMBL1437569 0.76 LIPE (0.40) LIPE
SCHEMBL1437465 0.76 LIPE (0.35) LIPEALDH1A1
SCHEMBL171476 0.75 CA1 (0.48) CA12CA4CA7CA9CA14
SCHEMBL9901870 0.75 LPL (0.44) L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL16967649 0.74 LPL (0.43) CA12CA4CA7CA9CA14
SCHEMBL11894946 0.74 GAA (0.49) LIPEMAPK1
SCHEMBL23045913 0.74 LPL (0.46) CA12CA4CA7CA9CA14
SCHEMBL1058987 0.74 LIPE (0.48) LIPEALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 — — 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 CA12 4681/4885CA4 2507/4885CA7 4690/4885

“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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