SCHEMBL971422

SCHEMBL971422

Cc1ccccc1-[n+]1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2A6 P11509 2/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32

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
SCHEMBL29725175 1.00 ACHE (0.43) ACHETSHRRAB9ANPC1LMNA
SCHEMBL31212632 0.91 ACHE (0.37) ACHETSHRRAB9ANPC1ALDH1A1
Acetic Acid SCHEMBL29025325 0.86 HPGD (0.36) ACHERAB9ANPC1LMNAALDH1A1
SCHEMBL19888150 0.83 ACHE (0.44) ACHETSHRRAB9ANPC1ALDH1A1
SCHEMBL31212631 0.82 NPC1 (0.33) ACHERAB9ANPC1
SCHEMBL30451957 0.81 TRPA1 (0.39) ACHETSHRRAB9ANPC1LMNA
Trifluoromethanesulfonic Acid SCHEMBL29767878 0.80 KCNH2 (0.40) ACHEIDO1
SCHEMBL25419897 0.76 ACHE (0.40) ACHETSHRRAB9ANPC1ALDH1A1
SCHEMBL5157528 0.76 SLC22A2 (0.56) ACHERAB9ANPC1PABPC1SLC22A2
SCHEMBL23161472 0.75 TDP1 (0.38) ACHERAB9ALMNAALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193076-A1 METHODS OF TREATING BREAST CANCER WITH TUCATINIB SEAGEN INC (US) 2022-06-23 — — US claimed
EP-3917533-A1 METHODS OF TREATING BREAST CANCER WITH TUCATINIB Seagen Inc. (US) 2021-12-08 — — EP claimed
CN-113613656-A Method of treating breast cancer with ceratinib 西根股份有限公司 2021-11-05 — — CN claimed
WO-2020159822-A1 METHODS OF TREATING BREAST CANCER WITH TUCATINIB SEATTLE GENETICS, INC. (US) 2020-08-06 — — WO claimed
CN-104974227-B The amphiphilic film targeting alpha-helix polypeptide of cation and its application 中国科学院苏州纳米技术与纳米仿生研究所 2019-04-23 — — CN claimed
CN-107529563-A A kind of chemical copper activator and preparation method 苏州天承化工有限公司 2018-01-02 — — CN claimed
US-20080132447-A1 Method of Screening for a Carnitine Transporter Agonist or Antagonist and it Uses SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-05 — — US claimed
EP-1781817-A2 METHOD OF SCREENING FOR A CARNITINE TRANSPORTER AGONIST OR ANTAGONIST AND ITS USES Sanofi-Aventis Deutschland GmbH (DE) 2007-05-09 — — EP claimed
WO-2006018259-A2 METHOD OF SCREENING FOR A CARNITINE TRANSPORTER AGONIST OR ANTAGONIST AND ITS USES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 — — WO claimed
EP-1627922-A1 Method of screening for a carnitine transporter agonist or antagonist and its uses Sanofi-Aventis Deutschland GmbH (DE) 2006-02-22 — — EP claimed
US-20220193076-A1 METHODS OF TREATING BREAST CANCER WITH TUCATINIB SEAGEN INC (US) 2022-06-23 — — US disclosed
EP-3917533-A1 METHODS OF TREATING BREAST CANCER WITH TUCATINIB Seagen Inc. (US) 2021-12-08 — — EP disclosed
CN-113613656-A Method of treating breast cancer with ceratinib 西根股份有限公司 2021-11-05 — — CN disclosed
EP-3046542-B1 SYNERGISTIC LIPOSOMAL FORMULATION FOR THE TREATMENT OF CANCER COUNCIL SCIENT IND RES (IN) 2021-01-06 — — EP disclosed
WO-2020159822-A1 METHODS OF TREATING BREAST CANCER WITH TUCATINIB SEATTLE GENETICS, INC. (US) 2020-08-06 — — WO disclosed
EP-1418922-A1 COMPOSITIONS COMPRISING NEGATIVELY CHARCHED PHOSPHOLIPIDS FOR TREATMENT AND/OR PREVENTION OF MACULAR DEGENERATION AND METHOD FOR ITS MANUFACTURE Eidgenoessische Technische Hochschule Zuerich (CH) 2004-05-19 — — EP disclosed
US-20030050283-A1 Composition for the treatment and/or prevention of macular degeneration, method for its manufacture, and its use for treating the eye LYNKEUS BIOTECH GMBH (DE) 2003-03-13 — — US disclosed
WO-2003018028-A1 COMPOSITIONS COMPRISING NEGATIVELY CHARCHED PHOSPHOLIPIDS FOR TREATMENT AND/OR PREVENTION OF MACULAR DEGENERATION AND METHOD FOR ITS MANUFACTURE EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2003-03-06 — — WO disclosed
EP-1220673-A2 MORPHOLINOL DERIVATIVES FOR THE TREATMENT OF OBESITY GLAXO GROUP LIMITED (GB) 2002-07-10 — — EP disclosed
WO-2001026641-A2 MORPHOLINOL DERIVATIVES FOR THE TREATMENT OF OBESITY GLAXO GROUP LIMITED (GB) 2001-04-19 — — 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 (1 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-20220193076-A1 METHODS OF TREATING BREAST CANCER WITH TUCATINIB BRCA1, TTBK2, TTBK1 ACHE 2350/4885TSHR 1533/4885RAB9A 2082/4885

“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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