SCHEMBL3607804

SCHEMBL3607804

Brc1ccc(C2=NCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 1/20 0.42
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DGAT1 O75907 1/20 0.37
KMT2A Q03164 1/20 0.37
LSS P48449 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL132013 0.89 KCNH2 (0.49) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL9475161 0.81 KCNH2 (0.44) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL10520360 0.81 KCNH2 (0.48) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL20410837 0.81 KCNH2 (0.44) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL1856955 0.79 NPC1 (0.43) ALDH1A1HPGDKCNH2HRH3LTA4H
SCHEMBL20410952 0.79 KCNH2 (0.43) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL1817200 0.79 LSS (0.51) ALDH1A1KCNH2HRH3LTA4HLSS
SCHEMBL961792 0.79 KCNN4 (0.44) ALDH1A1HPGDKCNH2HRH3LTA4H
SCHEMBL17677999 0.79 KCNH2 (0.43) KCNH2HRH3LTA4HSMN1; SMN2LSS
SCHEMBL1814199 0.79 KCNH2 (0.43) ALDH1A1HPGDKCNH2HRH3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108987-B N-substituted indenoisoquinolinone derivative and preparation method thereof 华侨大学 2023-05-26 CN claimed
CN-115108987-A N-substituted indenoisoquinolinone derivative and preparation method thereof 华侨大学 2022-09-27 CN claimed
CN-115108987-B N-substituted indenoisoquinolinone derivative and preparation method thereof 华侨大学 2023-05-26 CN disclosed
CN-114736358-B Preparation method and recovery method of recyclable PETG material 河南源宏高分子新材料有限公司 2022-12-13 CN disclosed
CN-115108987-A N-substituted indenoisoquinolinone derivative and preparation method thereof 华侨大学 2022-09-27 CN disclosed
CN-114736358-A Preparation method and recovery method of recyclable PETG material 河南源宏高分子新材料有限公司 2022-07-12 CN disclosed
CN-113999131-B Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-06-28 CN disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
CN-107531641-B Material for transporting electrons, organic electroluminescent element, and display device or lighting device 爱思开新材料捷恩智株式会社 2022-03-15 CN disclosed
CN-113999131-A Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-02-01 CN disclosed
US-20050003408-A1 Libraries of oligomers labeled with different tags ISIS INNOVATION LIMITED (GB) 2005-01-06 US disclosed
US-6780981-B1 MAKING A SET OF LABELLED COMPOUNDS BY THE USE OF PARTICULATE SUPPORT, COMPRISES DIVIDING THE SUPPORT INTO LOTS, PERFORMING A DIFFERENT CHEMICAL REACTION ON EACH LOT OF THE SUPPORT OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2004-08-24 US disclosed
EP-1428810-A2 Libraries of oligomers labelled with different tags Oxford Gene Technology IP Limited (GB) 2004-06-16 EP disclosed
EP-1068216-B1 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION (GB) 2003-12-10 EP disclosed
EP-1068216-A2 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION LIMITED (GB) 2001-01-17 EP disclosed
WO-1999060007-A2 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION LIMITED (GB) 1999-11-25 WO disclosed
US-5559141-A TREATMENT OF BREAST CANCER AND BENIGN PROSTATE HYPERPLASIA ORION-YHTYMA OY (FI) 1996-09-24 US disclosed
EP-0589975-A1 NEW SELECTIVE AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1994-04-06 EP disclosed
WO-1992022537-A1 NEW SELECTIVE AROMATASE INHIBITING 4(5)-IMIDAZOLES Orion-Yhtymä Oy (FI) 1992-12-23 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 (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-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT ALDH1A1 1266/4885HPGD 4501/4885KCNH2 18/4885

“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.