Sugi Predict

Sugi Predict / Compounds / SCHEMBL21707451

SCHEMBL21707451

SCHEMBL21707451

NCOc1ccc(Oc2ccc(N(CNc3ccc(Oc4ccc(O)cc4)cc3)CN(CO)c3ccc(Oc4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LTA4H P09960 4/20 0.36
▸ GAA P10253 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ BLM P54132 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL20506766 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL21707381 0.85 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL21707384 0.82 MAPT (0.35) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL20499799 0.82 F13A1 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
Bromide SCHEMBL20499802 0.74 F13A1 (0.33) ALDH1A1SMN1; SMN2L3MBTL1GAATP53
SCHEMBL20506762 0.73 ALDH1A1 (0.33) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL19002876 0.70 MAPT (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL17343555 0.70 MAPT (0.42) KMT2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL17634991 0.68 ALDH1A1 (0.39) ALDH1A1L3MBTL1TP53MAPT
SCHEMBL25294158 0.67 LTA4H (0.52) MEN1KMT2ALMNALTA4HESR1

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-11241389-B2 Method to generate microcapsules with hexahydrotriazine (HT)-containing shells INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-02-08 — — US disclosed
US-10624860-B2 Method to generate microcapsules with hexahydrotriazine (HT)-containing shells INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-04-21 — — US disclosed
US-20200046646-A1 METHOD TO GENERATE MICROCAPSULES WITH HEXAHYDROTRIAZINE (HT)-CONTAINING SHELLS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-02-13 — — 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 (3 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-10624860-B2 Method to generate microcapsules with hexahydrotriazine (HT)-containing shells HNMT, HTT, HRH2 MEN1 343/4885KMT2A 2006/4885ALDH1A1 4635/4885
US-11241389-B2 Method to generate microcapsules with hexahydrotriazine (HT)-containing shells HNMT, HTT, HRH2 MEN1 343/4885KMT2A 2006/4885ALDH1A1 4635/4885
US-20200046646-A1 METHOD TO GENERATE MICROCAPSULES WITH HEXAHYDROTRIAZINE (HT)-CONTAINING SHELLS HNMT, HTT, HRH2 MEN1 343/4885KMT2A 2006/4885ALDH1A1 4635/4885

“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.