SCHEMBL22834236

SCHEMBL22834236

COC(=O)c1cccc(-c2ccc([N+](=O)[O-])s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
ERN1 O75460 2/20 0.50
CYP2A6 P11509 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 3/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
PGR P06401 1/20 0.43
IL2 P60568 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL22834012 0.85 ALDH1A1 (0.53) CNR1CYP2A6MEN1KMT2ASMN1; SMN2
SCHEMBL8443288 0.79 CNR1 (0.56) CNR1ERN1CA12CA1CA2
SCHEMBL22834167 0.78 KDM4E (0.54) CNR1CYP2A6MEN1KMT2AMAPT
SCHEMBL8443409 0.78 CNR1 (0.61) CNR1ERN1CA12CA1CA2
SCHEMBL28716472 0.78 CNR1 (0.55) CNR1ERN1CA12CA1CA2
SCHEMBL29441715 0.76 MEN1 (0.65) ERN1CA12CA1CA2CA9
SCHEMBL2878741 0.76 MEN1 (0.65) ERN1CA12CA1CA2CA9
SCHEMBL22834314 0.76 CYP2A6 (0.56) CNR1CYP2A6MEN1KMT2ASMN1; SMN2
SCHEMBL7815751 0.76 ERN1 (0.58) ERN1CA12CA1CA2CA9
SCHEMBL2031327 0.75 CA12 (0.62) ERN1CA12CA1CA2CA9

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 CNR1 1/4885ERN1 1092/4885CYP2A6 332/4885

“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.