SCHEMBL22708261

SCHEMBL22708261

C=C(c1ccccc1)c1cc(OC)cc(C(=C)c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
PDE4A P27815 3/20 0.41
PDE4D Q08499 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PGR P06401 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH1 P35367 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
SCHEMBL29726801 0.83 NOS2 (0.52) NPC1RAB9ASMN1; SMN2HTTPDE4A
SCHEMBL22708268 0.80 MEN1 (0.40) NPC1SMN1; SMN2HTTCES2CES1
SCHEMBL4319151 0.78 MAPT (0.54) NPC1RAB9ASMN1; SMN2HTTPDE4A
SCHEMBL30437267 0.76 POLB (0.38) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL18545986 0.75 HPGD (0.67) NPC1RAB9ASMN1; SMN2HTTPDE4A
SCHEMBL21220132 0.74 CES2 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL18346348 0.74 CES2 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL2008961 0.74 CES2 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28561525 0.73 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2HTTPDE4A
SCHEMBL12304002 0.73 CES2 (0.58) NPC1RAB9ASMN1; SMN2PDE4APDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-05-31 US disclosed
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-05-31 US disclosed
US-20200369620-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-26 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-20200369620-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF CYP51A1, SLC39A11, ZC3HAV1L NPC1 1444/4885RAB9A 3818/4885SMN1; SMN2 2549/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L NPC1 1444/4885RAB9A 3818/4885SMN1; SMN2 2549/4885

“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.