SCHEMBL16790438

SCHEMBL16790438

COC(=O)c1c(C)cc(C#N)cc1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HPGD P15428 4/20 0.39
▸ CISD2 Q8N5K1 1/20 0.38
▸ AR P10275 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ GPR35 Q9HC97 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 3/20 0.35
▸ CACNA1F O60840 1/20 0.34
▸ CACNA1D Q01668 1/20 0.34
▸ CACNA1S Q13698 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL16790431 0.84 CYP3A4 (0.50) CYP3A4ACHEHPGDCISD2AR
SCHEMBL16790432 0.78 CYP3A4 (0.45) CYP3A4ACHEHPGDKDM4EPOLB
SCHEMBL29400731 0.78 CYP3A4 (0.45) CYP3A4ACHEHPGDKDM4EMEN1
SCHEMBL1104456 0.78 CYP3A4 (0.45) CYP3A4ACHEHPGDKDM4EMEN1
SCHEMBL12581658 0.77 CYP3A4 (0.44) CYP3A4ACHEHPGDKDM4EMEN1
SCHEMBL22889914 0.77 CYP3A4 (0.44) CYP3A4ACHEHPGDCISD2AR
SCHEMBL13613658 0.77 CYP3A4 (0.44) CYP3A4ACHEHPGDKDM4EPOLB
SCHEMBL4076913 0.75 ALDH1A1 (0.41) HPGDKDM4EPOLBALDH1A1GAA
SCHEMBL8010085 0.73 GSK3B (0.50) CYP3A4MEN1KMT2AGPR35ALDH1A1
SCHEMBL2019636 0.72 HPGD (0.38) CYP3A4HPGDARKDM4EMEN1

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
EP-3077008-B1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS HAN JIE (CN) 2023-10-04 — — EP disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 — — US disclosed
WO-2015081891-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-06-11 — — WO 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-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD CYP3A4 27/4885ACHE 651/4885HPGD 3/4885

“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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