SCHEMBL8339267

SCHEMBL8339267

CNCc1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
NCF1 P14598 2/20 0.47
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
APP P05067 5/20 0.42
ADRB2 P07550 1/20 0.42
APEX1 P27695 1/20 0.42
PMP22 Q01453 1/20 0.42
IDO1 P14902 2/20 0.41
CXCR3 P49682 1/20 0.40

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
SCHEMBL2504209 0.86 KDM4E (0.68) CYP3A4KDM4EMAPTLOXL2NCF1
Hydrochloric Acid SCHEMBL30925271 0.83 KDM4E (0.74) CYP3A4KDM4EMAPTLOXL2NCF1
SCHEMBL17123634 0.79 KDM4E (0.54) CYP3A4KDM4EMAPTLOXL2NCF1
SCHEMBL20630777 0.79 KDM4E (0.54) CYP3A4KDM4EMAPTLOXL2NCF1
SCHEMBL13184538 0.78 KDM4E (0.59) CYP3A4KDM4EMAPTLOXL2NCF1
SCHEMBL11172866 0.78 CXCR3 (0.52) CYP3A4CYP1A2CYP2D6APPAPEX1
SCHEMBL20245275 0.77 KDM4E (0.52) CYP3A4KDM4EMAPTLOXL2NCF1
SCHEMBL2848915 0.76 MAPT (0.56) CYP3A4KDM4EMAPTLOXL2NCF1
SCHEMBL296509 0.76 MAPT (0.56) CYP3A4KDM4EMAPTLOXL2NCF1
SCHEMBL23527906 0.75 CXCR3 (0.46) CYP3A4CYP1A2CYP2D6APPAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120794861-A Amine compound for fungus medicine and preparation method thereof 芷威(上海)化学科技有限公司 2025-10-17 CN disclosed
EP-4069697-B1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2025-07-16 EP disclosed
EP-4169944-A1 PROCESS FOR PREPARING HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE Biomolecular Holdings LLC (US) 2023-04-26 EP disclosed
US-20230065034-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-03-02 US disclosed
EP-4069697-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-10-12 EP disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
EP-3904352-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-11-03 EP disclosed
WO-2021113263-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 WO disclosed
CN-110950812-B Triazole compound and application thereof in agriculture 东莞市东阳光农药研发有限公司 2020-11-10 CN disclosed
WO-2020207352-A1 TRIAZINE BENZIMIDAZOLE COMPOUNDS AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-10-15 WO disclosed
US-9533965-B2 2-arylbenzofuran-7-formamide compounds, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-03 US disclosed
EP-2813495-B1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2016-09-28 EP disclosed
EP-2813495-B1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2016-09-28 EP disclosed
EP-2813495-A1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-12-17 EP disclosed
EP-2813495-A1 2-ARYLBENZOFURAN-7-FORMAMIDE COMPOUNDS, PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-12-17 EP disclosed
EP-2395002-B1 PHARMACEUTICAL COMPOSITION CONTAINING A HETEROCYCLIC MODULATOR OF ATP-BINDING CASSETTE TRANSPORTERS. VERTEX PHARMA (US) 2014-06-18 EP disclosed
EP-2404919-B1 Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. VERTEX PHARMA (US) 2013-08-21 EP disclosed
US-8211402-B2 CA-IX specific radiopharmaceuticals for the treatment and imaging of cancer MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20100178247-A1 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-15 US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 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-20230065034-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE CRHR1, CRH, CRHR2 CYP3A4 3744/4885KDM4E 4829/4885MAPT 4580/4885
US-20100178247-A1 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER CA9, CA13, CA14 CYP3A4 4511/4885KDM4E 3438/4885MAPT 2324/4885

“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.