SCHEMBL21872014

SCHEMBL21872014

CC(C)Cc1cn(O)nn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 3/20 0.36
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ NOTUM Q6P988 2/20 0.32
▸ GLA P06280 1/20 0.31
▸ PTGS2 P35354 2/20 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
SCHEMBL9908997 0.77 MAOA (0.40) DDX3XNOS3NOS1NOS2NOTUM
SCHEMBL22576313 0.76 NOTUM (0.38) DDX3XNOTUM
SCHEMBL9530296 0.76 — —
SCHEMBL16674147 0.75 GGPS1 (0.39) —
SCHEMBL7602050 0.75 CYP19A1 (0.38) DDX3XNOS3NOS1NOS2PTGS2
SCHEMBL16264736 0.73 CYP19A1 (0.38) DDX3XNOS3NOS1NOS2
SCHEMBL3114912 0.73 CYP19A1 (0.34) DDX3XNOS3NOS1NOS2NOTUM
SCHEMBL22856966 0.72 CYP19A1 (0.36) DDX3XNOS3NOS1NOS2
SCHEMBL20438736 0.72 CYP19A1 (0.36) DDX3XNOS3NOS1NOS2
SCHEMBL10447579 0.72 NOTUM (0.54) DDX3XNOTUMGLAPTGS2

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-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 — — US disclosed
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 — — 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 (2 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-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups SLC40A1, TAC3, ABCB7 DDX3X 3630/4885NOS3 722/4885NOS1 2344/4885
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 DDX3X 1935/4885NOS3 1947/4885NOS1 2559/4885

“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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