SCHEMBL22833992

SCHEMBL22833992

O=[N+]([O-])c1ccc(-c2cc(Cl)cc(Cl)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
PGR P06401 2/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
APP P05067 1/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
HSP90AA1 P07900 2/20 0.41
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL22834280 0.85 CYP2A6 (0.56) CYP2A6PGRKMT2AMEN1APP
SCHEMBL10489736 0.84 CYP2A6 (0.54) CYP2A6PGRKMT2AMEN1APP
SCHEMBL22834318 0.79 PGR (0.50) CYP2A6PGRKMT2AMEN1APP
SCHEMBL6067980 0.79 CYP2A6 (0.53) CYP2A6PGRKMT2AMEN1APP
SCHEMBL9777499 0.76 CYP2A6 (0.56) CYP2A6PGRKMT2AMEN1APP
SCHEMBL6067937 0.76 CYP2A6 (0.67) CYP2A6PGRKMT2AMEN1APP
SCHEMBL9144199 0.74
SCHEMBL22834157 0.73 CYP2A6 (0.68) CYP2A6PGRKMT2AMEN1APP
SCHEMBL12231917 0.73 CYP2A6 (0.54) CYP2A6PGRKMT2AMEN1APP
SCHEMBL8645298 0.73 CYP2A6 (0.54) CYP2A6PGRKMT2AMEN1APP

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 CYP2A6 332/4885PGR 2848/4885KMT2A 1051/4885

“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.