SCHEMBL4419612

SCHEMBL4419612

CC(O)c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
CYP3A4 P08684 3/20 0.37
SLC6A2 P23975 3/20 0.37
KCNH2 Q12809 3/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR2C P28335 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
HIF1A Q16665 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
GABRB1 P18505 1/20 0.37

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
SCHEMBL535657 1.00 GABRA1 (0.41) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL1741996 1.00 GABRA1 (0.41) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL11606150 0.81 CYP3A4 (0.44) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL29528605 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL251913 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL251914 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL253024 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL253023 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL28449368 0.81 GABRA1 (0.39) GABRA1GABRB2CYP3A4SLC6A2HTR2C
SCHEMBL29528763 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076721-A1 Process for the carbonylation of secondary benzyl halides Montedison S.p.A. (IT) 1983-04-13 EP claimed
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
EP-3845533-A1 OPTICALLY ACTIVE AZABICYCLIC DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-07-07 EP disclosed
CN-109134267-B Synthetic method of aromatic amine compound 北京大学 2020-11-17 CN disclosed
US-10787432-B2 N-[(pyridyloxy)propanyl]benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-09-29 US disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
EP-3442958-B1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
CN-109134267-A A kind of synthetic method of aromatic amine compounds 北京大学 2019-01-04 CN disclosed
EP-0977548-B2 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2008-03-26 EP disclosed
US-20080038659-A1 Antireflective composition for photoresists MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
EP-1859035-A1 IMMOBILISED ENZYMES Agency for Science, Technology and Research (SG) 2007-11-28 EP disclosed
CN-101014565-A Diarylsulfones as 5-HT2a antagonists MERCK SHARP & DOHME (GB) 2007-08-08 CN disclosed
WO-2006096132-A1 IMMOBILISED ENZYMES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-09-14 WO disclosed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP disclosed
US-6486330-B1 4-oxatricyclo[4.3.1.1 3,8]undecan-5-one derivative and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
US-20020051931-A1 Substrate having component layer that contains porous particles; surface can be made hydrophilic at low cost by coating; plate life KONICA CORPORATION, A CORPORATION OF JAPAN (JP) 2002-05-02 US disclosed
WO-1999020659-A1 END-FUNCTIONALIZED POLYMERS BY CONTROLLED FREE-RADICAL POLYMERIZATION PROCESS AND POLYMERS MADE THEREFROM THE B.F. GOODRICH COMPANY (US) 1999-04-29 WO disclosed
EP-0196484-B1 PRESSURE SENSITIVE MANIFOLD SHEET KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1990-05-09 EP 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-10787432-B2 N-[(pyridyloxy)propanyl]benzamides HCRTR1, HCRTR2, CNR1 GABRA1 92/4885GABRB2 116/4885CYP3A4 475/4885
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, ADH5 GABRA1 3320/4885GABRB2 2902/4885CYP3A4 2002/4885

“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.