Sugi Predict

Sugi Predict / Compounds / SCHEMBL22708458

SCHEMBL22708458

SCHEMBL22708458

Cc1c(C)c([C@H](C)c2ccccc2)c(N)c([C@H](C)c2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ VKORC1 Q9BQB6 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ TYR P14679 1/20 0.35

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
SCHEMBL10492735 0.75 KMT2A (0.39) KMT2ATAAR1ADRA2AADRA2CLMNA
SCHEMBL9770025 0.73 VKORC1 (0.41) KMT2ATAAR1ADRA2AADRA2CLMNA
SCHEMBL22439918 0.73 HCAR2 (0.33) KMT2ATAAR1VKORC1TYR
SCHEMBL22708267 0.73 CYP3A4 (0.37) KMT2ATAAR1ADRA2AADRA2CLMNA
Hydrazine SCHEMBL7749415 0.71 TAAR1 (0.52) KMT2ATAAR1ADRA2AADRA2CLMNA
SCHEMBL3088422 0.71 TSHR (0.41) KMT2ATAAR1ADRA2AADRA2CLMNA
SCHEMBL7499823 0.71 TAAR1 (0.50) KMT2ATAAR1ADRA2AADRA2CLMNA
SCHEMBL169730 0.71 TAAR1 (0.50) KMT2ATAAR1ADRA2AADRA2CLMNA
SCHEMBL22614848 0.71 ALDH1A1 (0.38) KMT2ATAAR1LMNAHIF1AALDH1A1
Hydrochloric Acid SCHEMBL28676905 0.71 CYP2D6 (0.39) KMT2AADRA2ALMNAKDM4EALDH1A1

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 KMT2A 1787/4885TAAR1 3518/4885ADRA2A 4000/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L KMT2A 1787/4885TAAR1 3518/4885ADRA2A 4000/4885

“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.