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SCHEMBL21040762

SCHEMBL21040762

COC(=O)c1ncc(O[Si](C)(C)C(C)(C)C)cc1CBr

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33

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
SCHEMBL22477325 0.88 KDM4E (0.33) KDM4EGMNNALDH1A1LMNACYP1A2
SCHEMBL22462074 0.86 CA12 (0.33) PREPCA12CA1CA9DRD2
SCHEMBL30402328 0.83 ALDH1A1 (0.40) CYP4F2CYP4A11KDM4EGMNNALDH1A1
SCHEMBL17544367 0.83 ALDH1A1 (0.40) CYP4F2CYP4A11KDM4EGMNNALDH1A1
SCHEMBL21041127 0.82 CA12 (0.37) KDM4EALDH1A1CYP3A4MAPK1PREP
SCHEMBL20231316 0.77 CA12 (0.41) KDM4EALDH1A1LMNACYP1A2MAPT
SCHEMBL29614665 0.77 CA12 (0.41) KDM4EALDH1A1LMNACYP1A2MAPT
SCHEMBL26144373 0.77 PREP (0.36) PREPCA12CA1CA9
SCHEMBL289465 0.76 CYP4F2 (0.40) CYP4F2CYP4A11KDM4EGMNNALDH1A1
SCHEMBL30745103 0.76 CYP4F2 (0.40) CYP4F2CYP4A11KDM4EGMNNALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 — — US disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 — — US disclosed
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-03-11 — — US disclosed
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 — — EP disclosed
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 — — EP disclosed
WO-2019101086-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-05-31 — — 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 (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-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof VAPB, VAPA, ADRA1D CYP4F2 4124/4885CYP4A11 2912/4885KDM4E 3905/4885
US-20210070750-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF VAPB, VAPA, ADRA1D CYP4F2 4124/4885CYP4A11 2912/4885KDM4E 3905/4885

“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.