Sugi Predict

Sugi Predict / Compounds / SCHEMBL429840

SCHEMBL429840

SCHEMBL429840

Brc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.54
▸ GPR84 Q9NQS5 3/20 0.52
▸ AHR P35869 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ IMPDH2 P12268 2/20 0.48
▸ CYP2A6 P11509 2/20 0.48
▸ IMPDH1 P20839 1/20 0.48
▸ AXL P30530 1/20 0.47
▸ MPO P05164 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45

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
SCHEMBL28310260 1.00 ATM (0.54) ATMGPR84AHRMEN1CYP3A4
Bicarbonate SCHEMBL29236652 0.89 GPR84 (0.55) ATMGPR84MEN1KMT2AMAPT
SCHEMBL20258216 0.82 ATM (0.50) ATMGPR84AHRMEN1CYP3A4
Tert-Butyl Formate SCHEMBL27895342 0.79 CYP2A6 (0.45) ATMGPR84AHRMEN1CYP3A4
Ethoxycarbonyl Group SCHEMBL27768618 0.78 CYP2A6 (0.44) ATMGPR84AHRMEN1CYP3A4
SCHEMBL1202543 0.74 IMPDH2 (0.63) ATMGPR84AHRMEN1CYP3A4
SCHEMBL25113793 0.72 MAPT (0.53) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL3417182 0.72 GFER (0.65) ATMGPR84AHRMEN1CYP3A4
SCHEMBL5429869 0.72 DYRK1A (0.49) AHRMEN1CYP3A4KMT2AMAPT
SCHEMBL31397683 0.72 GFER (0.65) ATMGPR84AHRMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161383-A Multidentate nitrogen-phosphine ligand, preparation method and application thereof 万华化学集团股份有限公司 2024-12-20 — — CN claimed
CN-114874126-B Synthetic method of 3-bromoindole compound 华南理工大学 2024-01-12 — — CN claimed
CN-113620940-B Preparation of near-infrared absorption amphiphilic diaryl alkene photochromic molecules and application of amphiphilic diaryl alkene photochromic molecules in reversible photothermal and photoacoustic applications 北京化工大学 2023-12-15 — — CN claimed
CN-112574092-B Green novel method for preparing 2-diaryl methyl substituted indole compound 湖南理工学院 2022-08-30 — — CN claimed
CN-114874126-A Synthetic method of 3-bromoindole compound 华南理工大学 2022-08-09 — — CN claimed
CN-113980049-A Preparation method of diphenylphosphine substituted indole derivative 河南省科学院化学研究所有限公司 2022-01-28 — — CN claimed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 — — CN claimed
CN-113620940-A Preparation of near-infrared absorbing amphiphilic diarylethene photochromic molecules and application of reversible photo-thermal and photo-acoustic molecules 北京化工大学 2021-11-09 — — CN claimed
CN-112574092-A Green novel method for preparing 2-diaryl methyl substituted indole compound 湖南理工学院 2021-03-30 — — CN claimed
CN-110643032-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2020-01-03 — — CN claimed
CN-106543202-A A kind of preparation method and application of new detection phenylmercaptan. fluorescent molecular probe 湖南师范大学 2017-03-29 — — CN claimed
CN-106397235-A Bromfenac sodium preparation method 辰欣佛都药业（汶上）有限公司 2017-02-15 — — CN claimed
CN-105658656-A 1, 1' -spiroindane-7, 7-bisphosphine oxides as highly active supporting ligands in palladium-catalyzed asymmetric Heck reactions 南洋理工大学 2016-06-08 — — CN claimed
US-20160136629-A1 SPIRO-1,1'-BINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALADIUM-CATALYZED ASYMMETRIC HECK REACTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-19 — — US claimed
EP-3004120-A1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION Nanyang Technological University (SG) 2016-04-13 — — EP claimed
CN-105037422-A Preparation method of indole phosphonate derivative UNIV SOOCHOW 2015-11-11 — — CN claimed
CN-104926868-A Method for preparing indole phosphonate derivative ZHANGJIAGANG INST IND TECHNOLOGIES SOOCHOW UNIV 2015-09-23 — — CN claimed
WO-2014196930-A1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-12-11 — — WO claimed
CN-104073045-A Application of halogenated indole and derivatives thereof as marine antifouling agent YANTAI INST COASTAL ZONE RES CAS 2014-10-01 — — CN claimed
EP-0526478-B1 3-INDOLYL THIOACETATE DERIVATIVES MERRELL DOW PHARMA (US) 1995-03-15 — — EP claimed

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-20160136629-A1 SPIRO-1,1'-BINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALADIUM-CATALYZED ASYMMETRIC HECK REACTION SBK1, SIK1, PDPK1 ATM 1719/4885GPR84 2726/4885AHR 1512/4885

“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.