Sugi Predict

Sugi Predict / Compounds / SCHEMBL359079

SCHEMBL359079

SCHEMBL359079

COc1c(C)cc(C)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ACHE P22303 1/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37

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
SCHEMBL30475384 1.00 ALDH1A1 (0.48) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL4621087 0.87 ACHE (0.52) ALDH1A1GAAMAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL5691780 0.85 ACHE (0.50) ALDH1A1GAAMAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL4654892 0.85 ACHE (0.50) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL129762 0.82 ACHE (0.57) ALDH1A1MAPTLMNAACHECYP3A4
SCHEMBL2025462 0.81 CASP1 (0.41) ALDH1A1GAAKDM4EACHECYP3A4
Hydrochloric Acid SCHEMBL5484796 0.79 CASP1 (0.39) ALDH1A1GAAMAPTKDM4EACHE
SCHEMBL21318685 0.79 ALDH1A1 (0.44) ALDH1A1GAAACHECYP3A4TDP1
SCHEMBL11848358 0.79 ALDH1A1 (0.43) ALDH1A1GAAMAPTKDM4ECYP3A4
SCHEMBL7045444 0.77 CYP3A4 (0.45) ALDH1A1GAAMAPTCYP3A4TDP1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563298-B Rhodamine fluorescent dye containing water-soluble substituent, preparation method and application thereof 北京大学 2023-07-28 — — CN disclosed
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 — — US disclosed
CN-113563298-A Water-soluble substituent-containing rhodamine fluorescent dye and preparation method and application thereof 北京大学 2021-10-29 — — CN disclosed
EP-2970248-B1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED INC (US) 2020-04-22 — — EP disclosed
US-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst L'OREAL (FR) 2019-04-09 — — US disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 — — US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 — — US disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 — — CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 — — CN disclosed
US-4656310-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-04-07 — — US disclosed
US-4532355-A Substituted triaryl phosphonium derivatives HOFFMANN-LA ROCHE INC. (US) 1985-07-30 — — US disclosed
US-4353914-A Antitussive anilides ORION-YHTYMA OY (FI) 1982-10-12 — — US disclosed
US-4319048-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-03-09 — — US disclosed
US-4224244-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-23 — — US disclosed
US-4215215-A 9-Phenyl-nonate traene compounds HOFFMANN-LA ROCHE INC. (US) 1980-07-29 — — US disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 — — 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 (5 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-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst KRT18, CYB5R3, CBR3 ALDH1A1 444/4885GAA 4479/4885MAPT 1029/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885GAA 4543/4885MAPT 1941/4885
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 ALDH1A1 1138/4885GAA 3933/4885MAPT 3364/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885GAA 4543/4885MAPT 1941/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885GAA 4543/4885MAPT 1941/4885

“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.