SCHEMBL21999281

SCHEMBL21999281

CC(C)c1ccc(N(O)c2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.45
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
UGT2B7 P16662 1/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 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
SCHEMBL13338853 0.83 SIGMAR1 (0.43) SIGMAR1GAACYP1A2CYP2D6SLC6A2
SCHEMBL14069675 0.83 SIGMAR1 (0.43) SIGMAR1GAACYP1A2CYP2D6SLC6A2
SCHEMBL21348037 0.83 SIGMAR1 (0.43) SIGMAR1GAACYP1A2CYP2D6SLC6A2
SCHEMBL20629037 0.81 SIGMAR1 (0.49) SIGMAR1CYP1A2L3MBTL1ALDH1A1KMT2A
SCHEMBL15399896 0.81 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL29553747 0.81 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6SLC6A2SLC6A4
SCHEMBL13338895 0.81 SIGMAR1 (0.44) SIGMAR1GAACYP1A2CYP2D6SLC6A2
SCHEMBL759961 0.79 SIGMAR1 (0.40) SIGMAR1GAACYP1A2CYP2D6SLC6A2
SCHEMBL13339019 0.79 SIGMAR1 (0.40) SIGMAR1GAACYP1A2CYP2D6SLC6A2
SCHEMBL17693516 0.79 SIGMAR1 (0.40) SIGMAR1GAACYP1A2CYP2D6SLC6A2

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-20200148666-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-05-14 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-20200148666-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS NDC1, NUCB2, MDM4 SIGMAR1 1398/4885GAA 2894/4885CYP1A2 3556/4885

“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.