SCHEMBL17299585

SCHEMBL17299585

Clc1ccc(-c2nccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
KDM4E B2RXH2 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
GLA P06280 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPY5R Q15761 1/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL12112873 0.90 MAPT (0.58) TDO2KDM4EL3MBTL1RAB9ANPC1
SCHEMBL31039992 0.86 HTR1A (0.56) IDO1TDO2HTR1AHTR2AHTR7
SCHEMBL11976487 0.85 KDM4E (0.62) TDO2KDM4EL3MBTL1RAB9ANPC1
SCHEMBL29398625 0.84 KDM4E (0.66) TDO2KDM4EL3MBTL1RAB9ANPC1
SCHEMBL50715 0.84 KDM4E (0.66) TDO2KDM4EL3MBTL1RAB9ANPC1
SCHEMBL29020550 0.83 KDM4E (0.60) TDO2KDM4EL3MBTL1RAB9ANPC1
SCHEMBL28414868 0.82 IDO1 (0.46) IDO1TDO2HTR1AHTR2AHTR7
SCHEMBL1686110 0.82 KDM4E (0.64) TDO2KDM4EL3MBTL1RAB9ANPC1
Hydrochloric Acid SCHEMBL3320794 0.82 KDM4E (0.64) TDO2KDM4EL3MBTL1RAB9ANPC1
SCHEMBL347181 0.82 KDM4E (0.64) TDO2KDM4EL3MBTL1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024510-B Indole derivative and application thereof 北京鼎材科技有限公司 2024-05-31 CN disclosed
CN-113024510-A Indole derivative and application thereof 北京鼎材科技有限公司 2021-06-25 CN disclosed
CN-108484499-B Method for preparing polysubstituted isoquinoline derivative from hydroxylamine and alkyne 清华大学 2020-06-19 CN disclosed
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 US disclosed
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 US disclosed
US-9871207-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-01-16 US disclosed
US-9871207-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-01-16 US disclosed
US-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-31 US disclosed
US-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-31 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 US disclosed
CN-102532019-A Method for preparing multi-substituted isoquinoline and analogues thereof UNIV TSINGHUA 2012-07-04 CN 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 (3 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-20150380661-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 IDO1 2699/4885TDO2 1324/4885HTR1A 4815/4885
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF ORAI2, ESR1, OR10J3 IDO1 2912/4885TDO2 1392/4885HTR1A 4782/4885
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR10J3 IDO1 2912/4885TDO2 1392/4885HTR1A 4782/4885

“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.