Sugi Predict

Sugi Predict / Compounds / SCHEMBL22708260

SCHEMBL22708260

SCHEMBL22708260

COc1cc([C@H](C)c2ccccc2)c(/N=C/C=N/c2c([C@H](C)c3ccccc3)cc(OC)cc2[C@H](C)c2ccccc2)c([C@H](C)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CASR P41180 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ACP3 P15309 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL29621558 0.82 TYR (0.41) TYRALDH1A1KMT2AMAPTKDM4E
SCHEMBL22708725 0.82 TYR (0.41) TYRALDH1A1KMT2AMAPTKDM4E
SCHEMBL18257136 0.78 TYR (0.43) TYRALDH1A1CASRCA4CYP3A4
SCHEMBL15874004 0.78 ALDH1A1 (0.39) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL15883182 0.78 ALDH1A1 (0.39) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL22708265 0.77 TYR (0.42) TYRALDH1A1CASRCA4CYP3A4
SCHEMBL22708475 0.77 TYR (0.42) TYRALDH1A1CASRCA4CYP3A4
SCHEMBL22708266 0.74 CASR (0.40) TYRALDH1A1CASRCA4CYP3A4
SCHEMBL4670011 0.72 CYP2D6 (0.56) ALDH1A1MEN1KMT2AHSD17B10CYP2D6
SCHEMBL17341690 0.72 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2D6

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 2 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-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 TYR 3467/4885ALDH1A1 777/4885CASR 4221/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L TYR 3467/4885ALDH1A1 777/4885CASR 4221/4885

“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.

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