Sugi Predict

Sugi Predict / Compounds / SCHEMBL3559372

SCHEMBL3559372

SCHEMBL3559372

COc1c(C)cncc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ TPMT P51580 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36

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
SCHEMBL27192031 0.80 LMNA (0.38) ALDH1A1MAPK1KMT2ASMN1; SMN2KDM4E
SCHEMBL20517661 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1TDP1TSHRGAA
SCHEMBL31093806 0.76 TSHR (0.50) ALDH1A1MAPK1TDP1TSHRHTT
SCHEMBL28072926 0.76 TSHR (0.50) ALDH1A1MAPK1TDP1TSHRHTT
SCHEMBL27191830 0.76 POLB (0.34) ALDH1A1MAPK1TDP1TSHRGAA
SCHEMBL30702045 0.76 POLB (0.34) ALDH1A1MAPK1TDP1TSHRGAA
SCHEMBL3447464 0.75 AGXT (0.41) ALDH1A1MAPK1TDP1SMN1; SMN2KDM4E
SCHEMBL1473281 0.73 TDP1 (0.56) ALDH1A1MAPK1TDP1TSHRHTT
SCHEMBL8159027 0.73 GPR35 (0.52) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL30702012 0.73 ALDH1A1 (0.42) ALDH1A1MAPK1TDP1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-19 — — US disclosed
EP-4673436-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-01-07 — — EP disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 — — US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 — — US disclosed
WO-2024179948-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-09-06 — — WO disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 — — US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 — — US disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 — — US disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 — — US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 — — US disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 — — US disclosed
EP-1425276-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2004-06-09 — — EP disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 — — 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 (8 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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS ALDH1A1 3137/4885MAPK1 4432/4885TDP1 2440/4885
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ALDH1A1 3259/4885MAPK1 3148/4885TDP1 2732/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE ALDH1A1 3259/4885MAPK1 3148/4885TDP1 2732/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ALDH1A1 3259/4885MAPK1 3148/4885TDP1 2732/4885
US-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS PKN3, PKMYT1, IP6K3 ALDH1A1 3032/4885MAPK1 60/4885TDP1 1527/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE ALDH1A1 3259/4885MAPK1 3148/4885TDP1 2732/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS ALDH1A1 2827/4885MAPK1 4657/4885TDP1 2646/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ALDH1A1 3259/4885MAPK1 3148/4885TDP1 2732/4885

“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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