Sugi Predict

Sugi Predict / Compounds / SCHEMBL5208330

SCHEMBL5208330

SCHEMBL5208330

COc1cc(F)c(CBr)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALDH1A1 P00352 8/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ MTNR1A P48039 1/20 0.38

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
SCHEMBL28892387 0.88 ALDH1A1 (0.44) TDP1ALDH1A1GAAMAPTMAPK1
SCHEMBL29785305 0.87 ALDH1A1 (0.43) TDP1ALDH1A1GAAMAPTMAPK1
SCHEMBL309725 0.87 ALDH1A1 (0.43) TDP1ALDH1A1GAAMAPTMAPK1
SCHEMBL29149536 0.84 TDP1 (0.41) TDP1ALDH1A1GAAMAPTMAPK1
SCHEMBL5208919 0.84 TTR (0.45) TDP1ALDH1A1GAAMAPTMAPK1
SCHEMBL28083185 0.82 ALDH1A1 (0.48) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13858996 0.82 ALDH1A1 (0.45) TDP1ALDH1A1GAAMAPTMAPK1
SCHEMBL13859258 0.82 ALDH1A1 (0.42) TDP1ALDH1A1GAAMAPTMAPK1
SCHEMBL517768 0.81 ALDH1A1 (0.50) TDP1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL29661436 0.81 ALDH1A1 (0.50) TDP1ALDH1A1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC (US) 2025-09-04 — — US disclosed
CN-113811534-B TYK2 inhibitors and uses thereof 阿鲁米斯公司 2024-10-29 — — CN disclosed
CN-117794923-A Benzodioxane compound, and preparation method and application thereof 南京红云生物科技有限公司 2024-03-29 — — CN disclosed
CN-114591351-B Polycyclic compound and preparation method and application thereof 成都科岭源医药技术有限公司 2023-12-05 — — CN disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — US disclosed
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-07-06 — — US disclosed
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 — — CN disclosed
EP-4166553-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-04-19 — — EP disclosed
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 — — WO disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 — — CN disclosed
EP-3938369-A1 TYK2 INHIBITORS AND USES THEREOF Esker Therapeutics, Inc. (US) 2022-01-19 — — EP disclosed
CN-113811534-A TYK2 inhibitors and uses thereof 埃斯克疗法股份有限公司 2021-12-17 — — CN disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 — — WO disclosed
CN-113717156-A EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2021-11-30 — — CN disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — WO disclosed
EP-1480972-B1 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-04-11 — — EP disclosed
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders GLAXO GROUP LIMITED (GB) 2005-05-19 — — US disclosed
EP-1480972-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-01 — — EP disclosed
WO-2003091248-A1 BENZOXAZINONE DERIVATIVE GLAXO GROUP LIMITED (GB) 2003-11-06 — — WO disclosed
WO-2003068760-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 — — 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 (4 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-20250276977-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 TDP1 252/4885ALDH1A1 4098/4885GAA 3318/4885
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, EGFR, WEE2 TDP1 1031/4885ALDH1A1 1742/4885GAA 2675/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 TDP1 4189/4885ALDH1A1 3822/4885GAA 1257/4885
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders CNR1, HTR5A, HTR1A TDP1 2731/4885ALDH1A1 1144/4885GAA 4499/4885

“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.