Sugi Predict

Sugi Predict / Compounds / SCHEMBL22708495

SCHEMBL22708495

SCHEMBL22708495

C=C(c1ccccc1)c1c(C)c(C)c(C)c(C(=C)c2ccccc2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GRM6 O15303 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ PTK2B Q14289 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ F12 P00748 1/20 0.32
▸ F7 P08709 1/20 0.32

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
SCHEMBL13964413 0.73 CYP3A4 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL377001 0.71 MAPT (0.54) MAPTALDH1A1LMNAGRM6PTK2B
SCHEMBL22708268 0.71 MEN1 (0.40) MEN1KMT2AMAPTPOLBMAOA
SCHEMBL7930063 0.69 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
Benzene SCHEMBL9731493 0.69 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
Benzene SCHEMBL28340939 0.69 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL26736 0.69 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3844822 0.69 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5690948 0.69 KMT2A (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7046010 0.69 CES2 (0.42) MEN1KMT2AMAPTALDH1A1LMNA

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 MEN1 1175/4885KMT2A 1787/4885MAPT 4257/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L MEN1 1175/4885KMT2A 1787/4885MAPT 4257/4885

“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.