SCHEMBL28401742

SCHEMBL28401742

CC(C)OC(=O)[C@@](N)(CC(C)(C)C)c1ccc(-n2cnnc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.37
▸ QPCT Q16769 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CPB1 P15086 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ PTPN1 P18031 1/20 0.32
▸ CYP2D6 P10635 1/20 0.30
▸ PTK2 Q05397 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30
▸ SIRT3 Q9NTG7 1/20 0.30

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
SCHEMBL21148969 1.00 RXFP1 (0.37) RXFP1QPCTKMT2AMEN1LMNA
SCHEMBL21149466 0.83 MEN1 (0.35) KMT2AMEN1ALDH1A1HPGDPTPN1
SCHEMBL20907804 0.83 MEN1 (0.35) KMT2AMEN1ALDH1A1HPGDPTPN1
SCHEMBL21112527 0.82 QPCT (0.45) RXFP1QPCTKMT2AMEN1LMNA
SCHEMBL21112530 0.82 QPCT (0.45) RXFP1QPCTKMT2AMEN1LMNA
SCHEMBL20907613 0.81 SMN1; SMN2 (0.40) RXFP1KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL28890357 0.80 MEN1 (0.41) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL21148968 0.80 MEN1 (0.41) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL20907565 0.79 KMT2A (0.40) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL21149522 0.79 PTPN1 (0.41) KMT2AMEN1LMNAALDH1A1PTPN1

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
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN RXFP1 3260/4885QPCT 1374/4885KMT2A 1556/4885

“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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