SCHEMBL840717

SCHEMBL840717

Cc1ccc(-[n+]2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.43
BCHE P06276 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALPG P10696 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CA2 P00918 2/20 0.35
LPL P06858 1/20 0.35

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
Hydrochloric Acid SCHEMBL29103227 0.97 ACHE (0.42) ACHEBCHELMNATSHRALOX12
Hydrochloric Acid SCHEMBL29103228 0.97 ACHE (0.42) ACHEBCHELMNATSHRALOX12
Iodide SCHEMBL10358237 0.97 ACHE (0.42) ACHEBCHELMNATSHRALOX12
Hydrochloric Acid SCHEMBL4727803 0.97 ACHE (0.42) ACHEBCHELMNATSHRALOX12
SCHEMBL28799098 0.91 ACHE (0.39) ACHEBCHELMNATSHRALOX12
Hydrochloric Acid SCHEMBL29103122 0.91 RAB9A (0.43) ACHEBCHELMNATSHRALOX12
SCHEMBL776579 0.86 NPC1 (0.37) ACHEALDH1A1KDM4EHTTRAB9A
Acetic Acid SCHEMBL29025324 0.85 CES2 (0.39) ACHEBCHELMNATDP1ALDH1A1
SCHEMBL23058911 0.81 SLC22A2 (0.48) ACHEBCHELMNATSHRALOX12
SCHEMBL5301154 0.79 ACHE (0.50) ACHEBCHELMNATSHRALOX12

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 290 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
CN-107129519-A Polypeptide fluorescence cyclization method and cyclized polypeptide based on metal iridium complex 中国科学院苏州纳米技术与纳米仿生研究所 2017-09-05 CN claimed
CN-104974227-A Cation amphiphilic membrane targeted alpha-helix polypeptides and application thereof SUZHOU INST NANO TECH & NANO B 2015-10-14 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
WO-2023093905-A1 AADC/GDNF POLYNUCLEOTIDE, AND USE THEREOF IN TREATING PARKINSON'S DISEASE 上海瑞宏迪医药有限公司 2023-06-01 WO disclosed
US-20230130980-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS TECHFIELDS PHARMA CO., LTD. (CN) 2023-04-27 US disclosed
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
WO-2001026641-A2 MORPHOLINOL DERIVATIVES FOR THE TREATMENT OF OBESITY GLAXO GROUP LIMITED (GB) 2001-04-19 WO disclosed
US-5589513-A TREATMENT OF NEURODEGENERATIVE DISEASES; MONOAMINE OXIDASE INHIBITOR AND UPTAKE INHIBITOR CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1996-12-31 US disclosed
EP-0617615-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1994-10-05 EP disclosed
WO-1993012775-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-07-08 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 (2 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 2350/4885BCHE 2461/4885LMNA 2996/4885
US-20230130980-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS SLC7A1, VIP, HPGDS ACHE 2976/4885BCHE 482/4885LMNA 4309/4885

“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.