SCHEMBL4645452

SCHEMBL4645452

O=C(Cl)c1ccc2ccccc2c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
WDR5 P61964 1/20 0.48
LDHA P00338 1/20 0.47
NCEH1 Q6PIU2 5/20 0.45
MAOB P27338 1/20 0.44
MMP3 P08254 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTPN1 P18031 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL485599 0.84 WDR5 (0.68) POLBWDR5LDHANCEH1MAOB
SCHEMBL2016154 0.81 POLB (0.52) POLBWDR5LDHANCEH1MAOB
SCHEMBL607844 0.81 POLB (0.52) POLBWDR5LDHANCEH1MAOB
SCHEMBL31520424 0.81 POLB (0.52) POLBWDR5LDHANCEH1MAOB
SCHEMBL2262992 0.80 WDR5 (0.68) WDR5LDHAMMP3HDAC8NR4A1
SCHEMBL3922382 0.78 LDHA (0.69) WDR5LDHANPC1MAPTRAB9A
SCHEMBL29819980 0.78 WDR5 (0.50) WDR5LDHAMMP3HDAC8NR4A1
SCHEMBL608187 0.78 WDR5 (0.50) WDR5LDHAMMP3HDAC8NR4A1
SCHEMBL8681030 0.78 CYP2A6 (0.52) POLBWDR5LDHANCEH1NR4A1
SCHEMBL8681263 0.77 CYP1A1 (0.55) POLBWDR5LDHANCEH1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107935936-A Benzimidazole compound and derivative, Organic Electron Transport Material and its preparation and application 华南理工大学 2018-04-20 CN claimed
CN-106518708-B The synthesis and application of new FXR activators 中国药科大学 2018-02-16 CN claimed
US-11678576-B2 Heterocyclic compound and organic light emitting element comprising same LT MATERIALS CO., LTD. (KR) 2023-06-13 US disclosed
US-11678576-B2 Heterocyclic compound and organic light emitting element comprising same LT MATERIALS CO., LTD. (KR) 2023-06-13 US disclosed
CN-110698501-B Transition metal complex and application thereof 广州华睿光电材料有限公司 2022-10-04 CN disclosed
EP-3858831-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LT Materials Co., Ltd. (KR) 2021-08-04 EP disclosed
US-20210202863-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-07-01 US disclosed
CN-107879968-B Luminescent material containing polar substituent group naphthoindene carbazole unit and preparation and application thereof 华南协同创新研究院 2021-03-16 CN disclosed
CN-106675551-B Bipolar small-molecule luminescent material which can be processed by environment-friendly solvent and takes naphthoindene fluorene unit as core, and preparation method and application thereof 华南理工大学 2020-04-28 CN disclosed
WO-2020067594-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 희성소재(주) 2020-04-02 WO disclosed
CN-110698501-A Transition metal complex and application thereof 广州华睿光电材料有限公司 2020-01-17 CN disclosed
CN-107935936-A Benzimidazole compound and derivative, Organic Electron Transport Material and its preparation and application 华南理工大学 2018-04-20 CN disclosed
CN-106518708-B The synthesis and application of new FXR activators 中国药科大学 2018-02-16 CN disclosed
CN-106675551-A Bipolar small molecular luminescent material capable of being processed by adopting environment-friendly solvent and taking naphtho-indenofluorene unit as core as well as production method and application of bipolar small molecular luminescent material 华南理工大学 2017-05-17 CN disclosed
CN-106518708-A Synthesis and applications of novel FXR agonists 中国药科大学 2017-03-22 CN disclosed
CN-106187908-A One class can use small molecule emitter material containing naphtho-indenes fluorenes unit that environmentally friendly solvent processes and preparation method and application 华南理工大学 2016-12-07 CN disclosed
EP-1675830-A4 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC (US) 2008-08-20 EP disclosed
US-20060199821-A1 Heterocyclic amides and sulfonamides SCIOS, INC. (US) 2006-09-07 US disclosed
EP-1675830-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2006-07-05 EP disclosed
WO-2005033072-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2005-04-14 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 (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-20210202863-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 POLB 3354/4885WDR5 2656/4885LDHA 1247/4885
US-20060199821-A1 Heterocyclic amides and sulfonamides MAP4K2, MAP3K8, MAP3K2 POLB 4065/4885WDR5 2804/4885LDHA 4138/4885
US-11678576-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, CYP1A1 POLB 3354/4885WDR5 2656/4885LDHA 1247/4885

“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.