SCHEMBL22834331

SCHEMBL22834331

COc1ccc(-c2ccc([N+](=O)[O-])s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.71
▸ KDM4E B2RXH2 7/20 0.57
▸ MAPT P10636 6/20 0.57
▸ GAA P10253 3/20 0.57
▸ HTT P42858 3/20 0.57
▸ POLB P06746 3/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ CYP2A6 P11509 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PGR P06401 2/20 0.47
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTR7 P34969 1/20 0.44

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
SCHEMBL22834167 0.84 KDM4E (0.54) APPKDM4EMAPTGAAHTT
SCHEMBL12231917 0.81 CYP2A6 (0.54) APPKDM4EMAPTHTTPOLB
SCHEMBL7651941 0.80 MAPT (0.53) APPKDM4EMAPTGAAHTT
SCHEMBL12597658 0.80 APP (0.47) APPKDM4EMAPTGAAHTT
SCHEMBL1181273 0.78 APP (1.00) APPKDM4EMAPTGAACYP2A6
SCHEMBL8645298 0.77 CYP2A6 (0.54) APPKDM4EMAPTPOLBL3MBTL1
SCHEMBL10489736 0.77 CYP2A6 (0.54) APPKDM4EMAPTHTTPOLB
SCHEMBL6067937 0.77 CYP2A6 (0.67) APPKDM4EMAPTHTTPOLB
SCHEMBL12208049 0.77 CYP2A6 (0.50) APPKDM4EMAPTGAAHTT
SCHEMBL12208053 0.77 CYP2A6 (0.50) APPKDM4EMAPTGAAHTT

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-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2022-10-20 — — US disclosed
EP-3990112-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI International (US) 2022-05-04 — — EP disclosed
CN-114269719-A Urea derivatives as CB1 allosteric modulators RTI国际 2022-04-01 — — CN disclosed
WO-2020264176-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2020-12-30 — — WO 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-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR119 APP 4016/4885KDM4E 935/4885MAPT 1639/4885

“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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